Steroids and derivatives
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Glycocholic Acid Sodium Salt, TRC
CAS: 863-57-0 Molecular Formula: C26 H42 N O6 . Na Molecular Weight (g/mol): 487.6045 Synonym: Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1),Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, monosodium salt (9CI),Glycine, N-choloyl-, monosodium salt (8CI),Cholane, glycine deriv.,Monosodium glycocholate,NSC 35609,Sodium cholylglycinate,Sodium glycocholate,N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine Sodium Salt,N-Choloylglycine Sodium Salt IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate SMILES: [Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
| CAS | 863-57-0 |
|---|---|
| Molecular Weight (g/mol) | 487.6045 |
| SMILES | [Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
| Synonym | Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1),Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, monosodium salt (9CI),Glycine, N-choloyl-, monosodium salt (8CI),Cholane, glycine deriv.,Monosodium glycocholate,NSC 35609,Sodium cholylglycinate,Sodium glycocholate,N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine Sodium Salt,N-Choloylglycine Sodium Salt |
| IUPAC Name | sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate |
| Molecular Formula | C26 H42 N O6 . Na |
Fusidic Acid Sodium Salt, TRC
CAS: 751-94-0 Molecular Formula: C31 H47 O6 . Na Molecular Weight (g/mol): 538.69 Synonym: Sodium Fusidate,29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, sodium salt (1:1), (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-,29-Nor-8α,9β,13α,14β-dammara-17(20),24-dien-21-oic acid, 3α,11α,16β-trihydroxy-, 16-acetate, monosodium salt, (Z)- (8CI),29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, monosodium salt, (3α,4α,8α,9β,11α,13α,14β,16β,17Z)- (9CI),Fucidin,Fucidina,Fucidine,Fusidate sodium,Fusidic acid sodium salt,Fusidin,SQ 16360,Sodium fucidate,Sodium fusidate,Sodium fusidin,ZN 6-Na,Sodium ent-(17Z)-16α-(acetyloxy)-3β,11β-dihydroxy-4β,8,14-trimethyl-18-nor-5β,10α-cholesta-17(20),24-dien-21-oate IUPAC Name: sodium;(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoate SMILES: [Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4\C(=C(/CCC=C(C)C)\C(=O)[O-])\[C@H](C[C@]34C)OC(=O)C
| CAS | 751-94-0 |
|---|---|
| Molecular Weight (g/mol) | 538.69 |
| SMILES | [Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4\C(=C(/CCC=C(C)C)\C(=O)[O-])\[C@H](C[C@]34C)OC(=O)C |
| Synonym | Sodium Fusidate,29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, sodium salt (1:1), (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-,29-Nor-8α,9β,13α,14β-dammara-17(20),24-dien-21-oic acid, 3α,11α,16β-trihydroxy-, 16-acetate, monosodium salt, (Z)- (8CI),29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, monosodium salt, (3α,4α,8α,9β,11α,13α,14β,16β,17Z)- (9CI),Fucidin,Fucidina,Fucidine,Fusidate sodium,Fusidic acid sodium salt,Fusidin,SQ 16360,Sodium fucidate,Sodium fusidate,Sodium fusidin,ZN 6-Na,Sodium ent-(17Z)-16α-(acetyloxy)-3β,11β-dihydroxy-4β,8,14-trimethyl-18-nor-5β,10α-cholesta-17(20),24-dien-21-oate |
| IUPAC Name | sodium;(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoate |
| Molecular Formula | C31 H47 O6 . Na |
Tauroursodeoxycholic Acid Sodium Salt, TRC
High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.
| CAS | 35807-85-3 |
|---|---|
| Molecular Weight (g/mol) | 521.69 |
| InChI Formula | InChI=1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-;/m1./s1 |
| Chemical Name or Material | Tauroursodeoxycholic Acid Sodium Salt |
| SMILES | [Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| Synonym | 2-[[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic acid sodium salt (1:1),Ethanesulfonic acid, 2-[[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt (9CI),Tauroursodeoxycholic acid, sodium salt (6CI,7CI),Sodium tauroursodeoxycholate,Sodium tauroursodesoxycholate |
| Recommended Storage | -20°C |
| IUPAC Name | sodium;2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate |
| Molecular Formula | C26 H44 N O6 S . Na |
| Formula Weight | 521.2787 |
Glycolithocholic Acid Sodium Salt, TRC
CAS: 24404-83-9 Molecular Formula: C26H42NNaO4 Molecular Weight (g/mol): 455.61 Synonym: Sodium Glycolithocholate,N-(3alpha-Hydroxy-5beta-cholan-24-oyl)glycine Sodium Salt,N-[(3alpha,5beta)-3-Hydroxy-24-oxocholan-24-yl]glycine Sodium Salt; IUPAC Name: sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate SMILES: [Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
| CAS | 24404-83-9 |
|---|---|
| Molecular Weight (g/mol) | 455.61 |
| SMILES | [Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| Synonym | Sodium Glycolithocholate,N-(3alpha-Hydroxy-5beta-cholan-24-oyl)glycine Sodium Salt,N-[(3alpha,5beta)-3-Hydroxy-24-oxocholan-24-yl]glycine Sodium Salt; |
| IUPAC Name | sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate |
| Molecular Formula | C26H42NNaO4 |
Abiraterone Sulfate Sodium Salt, TRC
Molecular Formula: C24 H30 N O4 S . Na Molecular Weight (g/mol): 451.55 Synonym: Abiraterone sulfate sodium salt,(3β)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol 3-(hydrogen sulfate) sodium salt IUPAC Name: sodium;[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate SMILES: [Na+].C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5)OS(=O)(=O)[O-]
| Molecular Weight (g/mol) | 451.55 |
|---|---|
| SMILES | [Na+].C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5)OS(=O)(=O)[O-] |
| Synonym | Abiraterone sulfate sodium salt,(3β)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol 3-(hydrogen sulfate) sodium salt |
| IUPAC Name | sodium;[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate |
| Molecular Formula | C24 H30 N O4 S . Na |
Glycocholic Acid Hydrate Sodium Salt, TRC
CAS: 338950-81-5 Molecular Formula: C26 H42 N O6 . Na . H2 O Molecular Weight (g/mol): 505.62 Synonym: Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, monosodium salt, hydrate (9CI),Glycocholic acid sodium salt hydrate,Sodium glycocholate hydrate,N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine sodium salt hydrate,Glycocholic acid sodium salt hydrate,Monosodium glycocholate hydrate,Sodium cholylglycinate hydrate IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate;hydrate SMILES: O.[Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
| CAS | 338950-81-5 |
|---|---|
| Molecular Weight (g/mol) | 505.62 |
| SMILES | O.[Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
| Synonym | Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, monosodium salt, hydrate (9CI),Glycocholic acid sodium salt hydrate,Sodium glycocholate hydrate,N-[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine sodium salt hydrate,Glycocholic acid sodium salt hydrate,Monosodium glycocholate hydrate,Sodium cholylglycinate hydrate |
| IUPAC Name | sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate;hydrate |
| Molecular Formula | C26 H42 N O6 . Na . H2 O |
Cholesterol 3-Sulfate Sodium Salt, TRC
CAS: 2864-50-8 Molecular Formula: C27 H45 O4 S . Na Molecular Weight (g/mol): 488.7 Synonym: Cholest-5-en-3-ol (3β)-, 3-(hydrogen sulfate), sodium salt (1:1) (ACI),Cholest-5-en-3-ol (3β)-, hydrogen sulfate, sodium salt (9CI),Cholesterol, hydrogen sulfate, sodium salt (8CI),Cholesteryl sodium sulfate (6CI),Cholesterol 3-sulfate sodium salt,Cholesteryl sulfate sodium salt,Sodium cholesteryl sulfate,Sodium cholesterol sulfate,(3β)-Cholest-5-en-3-ol 3-(hydrogen sulfate) sodium salt IUPAC Name: sodium;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate SMILES: [Na+].CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)[O-]
| CAS | 2864-50-8 |
|---|---|
| Molecular Weight (g/mol) | 488.7 |
| SMILES | [Na+].CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)[O-] |
| Synonym | Cholest-5-en-3-ol (3β)-, 3-(hydrogen sulfate), sodium salt (1:1) (ACI),Cholest-5-en-3-ol (3β)-, hydrogen sulfate, sodium salt (9CI),Cholesterol, hydrogen sulfate, sodium salt (8CI),Cholesteryl sodium sulfate (6CI),Cholesterol 3-sulfate sodium salt,Cholesteryl sulfate sodium salt,Sodium cholesteryl sulfate,Sodium cholesterol sulfate,(3β)-Cholest-5-en-3-ol 3-(hydrogen sulfate) sodium salt |
| IUPAC Name | sodium;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate |
| Molecular Formula | C27 H45 O4 S . Na |
Glycochenodeoxycholic Acid 3-Sulfate Disodium Salt, TRC
CAS: 66874-09-7 Molecular Formula: C26H41NNa2O8S Molecular Weight (g/mol): 573.65 Synonym: N-[(3α,5β,7α)-7-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine Disodium Salt,Glycochenodeoxycholic Acid 3α-Sulfate Disodium Salt; SMILES: C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)O)C.[Na+].[Na+]
| CAS | 66874-09-7 |
|---|---|
| Molecular Weight (g/mol) | 573.65 |
| SMILES | C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)O)C.[Na+].[Na+] |
| Synonym | N-[(3α,5β,7α)-7-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine Disodium Salt,Glycochenodeoxycholic Acid 3α-Sulfate Disodium Salt; |
| Molecular Formula | C26H41NNa2O8S |
Abiraterone N-Oxide Sulfate Sodium Salt, TRC
Molecular Formula: C24 H30 N O5 S . Na Molecular Weight (g/mol): 467.5535 Synonym: Abiraterone N-oxide sulfate sodium salt,(3β)-17-(1-Oxido-3-pyridinyl)androsta-5,16-dien-3-ol 3-(hydrogen sulfate) sodium salt,Abiraterone N-Oxide sulfate sodium,N-Oxide abiraterone sulfate sodium,Abiraterone sulfate N-oxide sodium salt IUPAC Name: sodium;[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(1-oxidopyridin-1-ium-3-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate SMILES: [Na+].C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OS(=O)(=O)[O-])[C@@H]1CC=C2c5ccc[n+]([O-])c5
| Molecular Weight (g/mol) | 467.5535 |
|---|---|
| SMILES | [Na+].C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OS(=O)(=O)[O-])[C@@H]1CC=C2c5ccc[n+]([O-])c5 |
| Synonym | Abiraterone N-oxide sulfate sodium salt,(3β)-17-(1-Oxido-3-pyridinyl)androsta-5,16-dien-3-ol 3-(hydrogen sulfate) sodium salt,Abiraterone N-Oxide sulfate sodium,N-Oxide abiraterone sulfate sodium,Abiraterone sulfate N-oxide sodium salt |
| IUPAC Name | sodium;[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(1-oxidopyridin-1-ium-3-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate |
| Molecular Formula | C24 H30 N O5 S . Na |
Glycochenodeoxycholic Acid Sodium Salt (Ultra pure, >97%), TRC
CAS: 16564-43-5 Molecular Formula: C26 H42 N O5 . Na Molecular Weight (g/mol): 471.61 Synonym: N-[(3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine Sodium Salt,N-[(3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine Monosodium Salt,NSC 681056,Sodium Chenodeoxycholylglycine,Sodium Glycochenodeoxycholate,Sodium Glycochenodesoxycholate; IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate SMILES: [Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
| CAS | 16564-43-5 |
|---|---|
| Molecular Weight (g/mol) | 471.61 |
| SMILES | [Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| Synonym | N-[(3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine Sodium Salt,N-[(3alpha,5beta,7alpha)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine Monosodium Salt,NSC 681056,Sodium Chenodeoxycholylglycine,Sodium Glycochenodeoxycholate,Sodium Glycochenodesoxycholate; |
| IUPAC Name | sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate |
| Molecular Formula | C26 H42 N O5 . Na |
7,7-Azo-3-Alpha,12-Alpha-dihydroxytaurocholanic Acid Sodium Salt, TRC
CAS: 72741-86-7 Molecular Formula: C52 H86 N4 O12 S2 . 2 Na Molecular Weight (g/mol): 1069.37 IUPAC Name: disodium;2-[[(4R)-4-[(3R,8R,9S,10S,12S,13R,14S,17R)-7-[(E)-[(3R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(2-sulfonatoethylamino)pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl]diazenyl]-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate SMILES: [Na+].[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N=NC5CC6C[C@H](O)CC[C@]6(C)[C@H]7C[C@H](O)[C@]8(C)[C@H](CC[C@H]8[C@H]57)[C@H](C)CCC(=O)NCCS(=O)(=O)[O-]
| CAS | 72741-86-7 |
|---|---|
| Molecular Weight (g/mol) | 1069.37 |
| SMILES | [Na+].[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N=NC5CC6C[C@H](O)CC[C@]6(C)[C@H]7C[C@H](O)[C@]8(C)[C@H](CC[C@H]8[C@H]57)[C@H](C)CCC(=O)NCCS(=O)(=O)[O-] |
| IUPAC Name | disodium;2-[[(4R)-4-[(3R,8R,9S,10S,12S,13R,14S,17R)-7-[(E)-[(3R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(2-sulfonatoethylamino)pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl]diazenyl]-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate |
| Molecular Formula | C52 H86 N4 O12 S2 . 2 Na |
Sodium taurocholate hydrate, 96%
CAS: 345909-26-4 Molecular Formula: C26H44NNaO7S Molecular Weight (g/mol): 537.688 MDL Number: MFCD00150819 InChI Key: JAJWGJBVLPIOOH-VXFFEJGCSA-M Synonym: sodium taurocholate,taurocholic acid sodium salt,taurocholate sodium,taurocholate sodium salt,unii-m6n3th81no,monosodium n-choloyltaurinate,m6n3th81no,monosodium taurocholate,sodium n-choloyltaurinate,monosodium taurocholic acid PubChem CID: 131632374 IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
| PubChem CID | 131632374 |
|---|---|
| CAS | 345909-26-4 |
| Molecular Weight (g/mol) | 537.688 |
| MDL Number | MFCD00150819 |
| SMILES | CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+] |
| Synonym | sodium taurocholate,taurocholic acid sodium salt,taurocholate sodium,taurocholate sodium salt,unii-m6n3th81no,monosodium n-choloyltaurinate,m6n3th81no,monosodium taurocholate,sodium n-choloyltaurinate,monosodium taurocholic acid |
| IUPAC Name | sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate |
| InChI Key | JAJWGJBVLPIOOH-VXFFEJGCSA-M |
| Molecular Formula | C26H44NNaO7S |
| MDL Number | MFCD00151238 |
|---|
Sodium cholate hydrate, 99%, Thermo Scientific Chemicals
CAS: 206986-87-0 Molecular Formula: C24H39NaO5 Molecular Weight (g/mol): 430.56 MDL Number: MFCD00064138 MFCD00003672 InChI Key: NRHMKIHPTBHXPF-TUJRSCDTSA-M PubChem CID: 23679061 IUPAC Name: sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrate SMILES: [Na+].[H][C@@]12CC[C@H]([C@H](C)CCC([O-])=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
| PubChem CID | 23679061 |
|---|---|
| CAS | 206986-87-0 |
| Molecular Weight (g/mol) | 430.56 |
| MDL Number | MFCD00064138 MFCD00003672 |
| SMILES | [Na+].[H][C@@]12CC[C@H]([C@H](C)CCC([O-])=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C |
| IUPAC Name | sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;hydrate |
| InChI Key | NRHMKIHPTBHXPF-TUJRSCDTSA-M |
| Molecular Formula | C24H39NaO5 |
Sodium glycocholate hydrate, 98%
CAS: 207614-05-9 Molecular Formula: C26H42NNaO6 Molecular Weight (g/mol): 487.61 MDL Number: MFCD09037360 InChI Key: OABYVIYXWMZFFJ-XIMBWSGONA-M Synonym: glycocholic acid sodium salt hydrate,sodium glycocholate hydrate,c26h42no6.na.2h2o,sodium glycocholate dihydrate PubChem CID: 45051920 IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate;dihydrate SMILES: [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC([O-])=O
| PubChem CID | 45051920 |
|---|---|
| CAS | 207614-05-9 |
| Molecular Weight (g/mol) | 487.61 |
| MDL Number | MFCD09037360 |
| SMILES | [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC([O-])=O |
| Synonym | glycocholic acid sodium salt hydrate,sodium glycocholate hydrate,c26h42no6.na.2h2o,sodium glycocholate dihydrate |
| IUPAC Name | sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate;dihydrate |
| InChI Key | OABYVIYXWMZFFJ-XIMBWSGONA-M |
| Molecular Formula | C26H42NNaO6 |