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Organic acids and derivatives

Organic compounds with acidic properties, and will commonly have carboxylic acids or similar functional groups in their structure. Derived compounds are also included.
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1

Dibromoacetamide, TRC

CAS: 598-70-9 Molecular Formula: C2 H3 Br2 N O Molecular Weight (g/mol): 216.86 Synonym: 2,2-Dibromoacetamide,Dibromoacetamide IUPAC Name: 2,2-dibromoacetamide SMILES: NC(=O)C(Br)Br

CAS 598-70-9
Molecular Weight (g/mol) 216.86
SMILES NC(=O)C(Br)Br
Synonym 2,2-Dibromoacetamide,Dibromoacetamide
IUPAC Name 2,2-dibromoacetamide
Molecular Formula C2 H3 Br2 N O
2

Daptomycin, TRC

CAS: 103060-53-3 Molecular Formula: C72 H101 N17 O26 Molecular Weight (g/mol): 1620.67 Synonym: Daptomycin,1-Oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontane, cyclic peptide deriv.,Benzenebutanoic acid, N-(1-oxodecyl)-L-tryptophyl-D-asparaginyl-L-α-aspartyl-L-threonylglycyl-L-ornithyl-L-α-aspartyl-D-alanyl-L-α-aspartylglycyl-D-seryl-(3R)-3-methyl-L-α-glutamyl-α,2-diamino-γ-oxo-, (13→4)-lactone, (αS)-,Cidecin,Cubicin,Dapcin,Daptomicina,Daptomycine,Daptomycinum,Deptomycin,LY 146032,N-(1-Oxodecyl)-L-tryptophyl-D-asparaginyl-L-α-aspartyl-L-threonylglycyl-L-ornithyl-L-α-aspartyl-D-alanyl-L-α-aspartylglycyl-D-seryl-(3R)-3-methyl-L-α-glutamyl-(αS)-α,2-diamino-γ-oxobenzenebutanoic acid (13→4)-lactone IUPAC Name: (3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid SMILES: CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@@H](C)OC(=O)[C@H](CC(=O)c4ccccc4N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC3=O)[C@H](C)CC(=O)O

CAS 103060-53-3
Molecular Weight (g/mol) 1620.67
SMILES CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@@H](C)OC(=O)[C@H](CC(=O)c4ccccc4N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC3=O)[C@H](C)CC(=O)O
Synonym Daptomycin,1-Oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontane, cyclic peptide deriv.,Benzenebutanoic acid, N-(1-oxodecyl)-L-tryptophyl-D-asparaginyl-L-α-aspartyl-L-threonylglycyl-L-ornithyl-L-α-aspartyl-D-alanyl-L-α-aspartylglycyl-D-seryl-(3R)-3-methyl-L-α-glutamyl-α,2-diamino-γ-oxo-, (13→4)-lactone, (αS)-,Cidecin,Cubicin,Dapcin,Daptomicina,Daptomycine,Daptomycinum,Deptomycin,LY 146032,N-(1-Oxodecyl)-L-tryptophyl-D-asparaginyl-L-α-aspartyl-L-threonylglycyl-L-ornithyl-L-α-aspartyl-D-alanyl-L-α-aspartylglycyl-D-seryl-(3R)-3-methyl-L-α-glutamyl-(αS)-α,2-diamino-γ-oxobenzenebutanoic acid (13→4)-lactone
IUPAC Name (3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid
Molecular Formula C72 H101 N17 O26
3

Urethane, TRC

CAS: 51-79-6 Molecular Formula: C3 H7 N O2 Molecular Weight (g/mol): 89.09 Synonym: Ethyl aminoformate,Ethyl carbamate,Ethylurethane,Leucethane,NSC 746,O-Ethylurethane,Pracarbamine,Urethan,Urethane IUPAC Name: ethyl carbamate SMILES: CCOC(=O)N

CAS 51-79-6
Molecular Weight (g/mol) 89.09
SMILES CCOC(=O)N
Synonym Ethyl aminoformate,Ethyl carbamate,Ethylurethane,Leucethane,NSC 746,O-Ethylurethane,Pracarbamine,Urethan,Urethane
IUPAC Name ethyl carbamate
Molecular Formula C3 H7 N O2
4

Bromochloroacetamide, TRC

CAS: 62872-34-8 Molecular Formula: C2H3BrClNO Molecular Weight (g/mol): 172.41 Synonym: 2-Bromo-2-chloroacetamide; IUPAC Name: 2-bromo-2-chloroacetamide SMILES: NC(=O)C(Cl)Br

CAS 62872-34-8
Molecular Weight (g/mol) 172.41
SMILES NC(=O)C(Cl)Br
Synonym 2-Bromo-2-chloroacetamide;
IUPAC Name 2-bromo-2-chloroacetamide
Molecular Formula C2H3BrClNO
5

Incandronate, TRC

CAS: 124351-85-5 Molecular Formula: C8H19NO6P2 Molecular Weight (g/mol): 287.19 Synonym: P,P'-[(Cycloheptylamino)methylene]bisphosphonic Acid,[(Cycloheptylamino)methylene]bisphosphonic Acid,Cimadronate,Cimadronic Acid,Icandronate,Incadronic Acid,[(Cycloheptylamino)methylene]bis(phosphonic acid),[(Cycloheptylamino)methylene]diphosphonic Acid IUPAC Name: [(cycloheptylamino)-phosphonomethyl]phosphonic acid SMILES: OP(=O)(O)C(NC1CCCCCC1)P(=O)(O)O

CAS 124351-85-5
Molecular Weight (g/mol) 287.19
SMILES OP(=O)(O)C(NC1CCCCCC1)P(=O)(O)O
Synonym P,P'-[(Cycloheptylamino)methylene]bisphosphonic Acid,[(Cycloheptylamino)methylene]bisphosphonic Acid,Cimadronate,Cimadronic Acid,Icandronate,Incadronic Acid,[(Cycloheptylamino)methylene]bis(phosphonic acid),[(Cycloheptylamino)methylene]diphosphonic Acid
IUPAC Name [(cycloheptylamino)-phosphonomethyl]phosphonic acid
Molecular Formula C8H19NO6P2
6

Valifenalate, TRC

CAS: 283159-90-0 Molecular Formula: C19 H27 Cl N2 O5 Molecular Weight (g/mol): 398.88 Synonym: β-Alanine, N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-, methyl ester,IR 5885,Valifenalate,Valiphenal IUPAC Name: methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate SMILES: COC(=O)CC(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1

CAS 283159-90-0
Molecular Weight (g/mol) 398.88
SMILES COC(=O)CC(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1
Synonym β-Alanine, N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-, methyl ester,IR 5885,Valifenalate,Valiphenal
IUPAC Name methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate
Molecular Formula C19 H27 Cl N2 O5
7

Cletoquine, TRC

CAS: 4298-15-1 Molecular Formula: C16 H22 Cl N3 O Molecular Weight (g/mol): 307.82 Synonym: Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]amino]-,Ethanol, 2-[[4-[(7-chloro-4-quinolyl)amino]pentyl]amino]- (7CI,8CI),2-[[4-[(7-Chloro-4-quinolinyl)amino]pentyl]amino]ethanol,(±)-Desethylhydroxychloroquine,Cletoquine,Desethylhydroxychloroquine IUPAC Name: 2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol SMILES: CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12

CAS 4298-15-1
Molecular Weight (g/mol) 307.82
SMILES CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
Synonym Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]amino]-,Ethanol, 2-[[4-[(7-chloro-4-quinolyl)amino]pentyl]amino]- (7CI,8CI),2-[[4-[(7-Chloro-4-quinolinyl)amino]pentyl]amino]ethanol,(±)-Desethylhydroxychloroquine,Cletoquine,Desethylhydroxychloroquine
IUPAC Name 2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol
Molecular Formula C16 H22 Cl N3 O
8

Treosulfan, TRC

CAS: 299-75-2 Molecular Formula: C6H14O8S2 Molecular Weight (g/mol): 278.3 Synonym: (2S,3S)-1,2,3,4-Butanetetrol 1,4-Dimethanesulfonate,[S-(R*,R*)]-1,2,3,4-Butanetetrol 1,4-Dimethanesulfonate,(2S,3S)-Threitol 1,4-Dimethanesulfonate,L-Threitol 1,4-Bis(methanesulfonate),NSC 39069,Ovastat,Threosulphan,Trecondi,Treosulphan,Tresulfan,(2S,3S)-2,3-Dihydroxybutane-1,4-diyl Dimethanesulfonate IUPAC Name: [(2S,3S)-2,3-dihydroxy-4-methylsulfonyloxybutyl] methanesulfonate SMILES: CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(=O)(=O)C

CAS 299-75-2
Molecular Weight (g/mol) 278.3
SMILES CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(=O)(=O)C
Synonym (2S,3S)-1,2,3,4-Butanetetrol 1,4-Dimethanesulfonate,[S-(R*,R*)]-1,2,3,4-Butanetetrol 1,4-Dimethanesulfonate,(2S,3S)-Threitol 1,4-Dimethanesulfonate,L-Threitol 1,4-Bis(methanesulfonate),NSC 39069,Ovastat,Threosulphan,Trecondi,Treosulphan,Tresulfan,(2S,3S)-2,3-Dihydroxybutane-1,4-diyl Dimethanesulfonate
IUPAC Name [(2S,3S)-2,3-dihydroxy-4-methylsulfonyloxybutyl] methanesulfonate
Molecular Formula C6H14O8S2
9

Guanylurea, TRC

CAS: 141-83-3 Molecular Formula: C2 H6 N4 O Molecular Weight (g/mol): 102.1 Synonym: Urea, (aminoiminomethyl)- (9CI),Urea, amidino- (6CI,7CI,8CI),N-(Aminoiminomethyl)urea,1-Amidinourea,1-Carbamoylguanidine,Amidinourea,Dicyandiamidine,Guanidine, (aminocarbonyl)-,Guanidinecarboxamide,Guanylurea,N-Amidinourea,N-Carbamoylguanidine,Urea, N-(aminoiminomethyl)- IUPAC Name: carbamimidoylurea SMILES: NC(=N)NC(=O)N

CAS 141-83-3
Molecular Weight (g/mol) 102.1
SMILES NC(=N)NC(=O)N
Synonym Urea, (aminoiminomethyl)- (9CI),Urea, amidino- (6CI,7CI,8CI),N-(Aminoiminomethyl)urea,1-Amidinourea,1-Carbamoylguanidine,Amidinourea,Dicyandiamidine,Guanidine, (aminocarbonyl)-,Guanidinecarboxamide,Guanylurea,N-Amidinourea,N-Carbamoylguanidine,Urea, N-(aminoiminomethyl)-
IUPAC Name carbamimidoylurea
Molecular Formula C2 H6 N4 O
10

Azithromycin, TRC

CAS: 83905-01-5 Molecular Formula: C38 H72 N2 O12 Molecular Weight (g/mol): 748.98 Synonym: 1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, [2R-(2R*,3S*,4R*,5R*,8R*,10R*,11R*,12S*,13S*,14R*)]-,(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-1-oxa-6-azacyclopentadecan-15-one,9-Deoxo-9a-methyl-9a-aza-9a-homoetrythromycin A,AZM,Aruzilina,Arzomicin,Auricin,Auricin (polyketide antibiotic),AzaSite,Azadose,Azatril,Azee,Azenil,Azimin,Aziromycin,Azisara,Azithral,Azithrocin,Azithromycin,Azithromycin A,Azitrocin,Azitromax,Aziwin,Aziwok,Azomycin,Azomycin (macrolide),Aztrin,CP 62993,Durasite,Hemomycin,Macromycin,Macrozit,N-Methyl-11-aza-10-deoxo-10-dihydroerythromycin A,Sanhe,Setron,Shimen,Sumamed,Sumazid,Tobil,Tridosil,Tromix,Trozocina,Ultreon,XZ 405,XZ 450,Xithron,Xithrone,Zeto,Zi-Factor,Zifin,Zistic,Zithromac,Zithromax,Zithromax IV,Zitrim,Zitrocin,Zitromax,Zythromax IUPAC Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O

CAS 83905-01-5
Molecular Weight (g/mol) 748.98
SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
Synonym 1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, [2R-(2R*,3S*,4R*,5R*,8R*,10R*,11R*,12S*,13S*,14R*)]-,(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-1-oxa-6-azacyclopentadecan-15-one,9-Deoxo-9a-methyl-9a-aza-9a-homoetrythromycin A,AZM,Aruzilina,Arzomicin,Auricin,Auricin (polyketide antibiotic),AzaSite,Azadose,Azatril,Azee,Azenil,Azimin,Aziromycin,Azisara,Azithral,Azithrocin,Azithromycin,Azithromycin A,Azitrocin,Azitromax,Aziwin,Aziwok,Azomycin,Azomycin (macrolide),Aztrin,CP 62993,Durasite,Hemomycin,Macromycin,Macrozit,N-Methyl-11-aza-10-deoxo-10-dihydroerythromycin A,Sanhe,Setron,Shimen,Sumamed,Sumazid,Tobil,Tridosil,Tromix,Trozocina,Ultreon,XZ 405,XZ 450,Xithron,Xithrone,Zeto,Zi-Factor,Zifin,Zistic,Zithromac,Zithromax,Zithromax IV,Zitrim,Zitrocin,Zitromax,Zythromax
IUPAC Name (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular Formula C38 H72 N2 O12
11

Laninamivir, TRC

CAS: 203120-17-6 Molecular Formula: C13 H22 N4 O7 Molecular Weight (g/mol): 346.34 Synonym: D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-7-O-methyl-,5-(Acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid,(4S,5R,6R)-5-Acetamido-4-carbamimidamido-6-((1R,2R)-3-hydroxy-2-methoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid,(4S,5R,6R)-5-Acetamido-4-guanidino-6-((1R,2R)-2,3-dihydroxy-1-methoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid,Laninamivir,R 125489 IUPAC Name: (2R,3R,4S)-3-acetamido-4-carbamimidamido-2-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid SMILES: CO[C@H]([C@H](O)CO)[C@@H]1OC(=C[C@H](NC(=N)N)[C@H]1NC(=O)C)C(=O)O

CAS 203120-17-6
Molecular Weight (g/mol) 346.34
SMILES CO[C@H]([C@H](O)CO)[C@@H]1OC(=C[C@H](NC(=N)N)[C@H]1NC(=O)C)C(=O)O
Synonym D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-7-O-methyl-,5-(Acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid,(4S,5R,6R)-5-Acetamido-4-carbamimidamido-6-((1R,2R)-3-hydroxy-2-methoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid,(4S,5R,6R)-5-Acetamido-4-guanidino-6-((1R,2R)-2,3-dihydroxy-1-methoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylic acid,Laninamivir,R 125489
IUPAC Name (2R,3R,4S)-3-acetamido-4-carbamimidamido-2-[(1R,2R)-2,3-dihydroxy-1-methoxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Molecular Formula C13 H22 N4 O7
12

Bomyl, TRC

CAS: 122-10-1 Molecular Formula: C9H15O8P Molecular Weight (g/mol): 282.18 Synonym: 3-[(Dimethoxyphosphinyl)oxy]-2-pentenedioic Acid Dimethyl Ester,Dimethyl 3-hydroxyglutaconate dimethyl phosphate,General Chemicals 3707,Dimethyl-1,3-di(carbomethoxy)-1-propen-2-yl phosphate,ENT 24,833,GC 3707 IUPAC Name: dimethyl 3-dimethoxyphosphoryloxypent-2-enedioate SMILES: COC(=O)CC(=CC(=O)OC)OP(=O)(OC)OC

CAS 122-10-1
Molecular Weight (g/mol) 282.18
SMILES COC(=O)CC(=CC(=O)OC)OP(=O)(OC)OC
Synonym 3-[(Dimethoxyphosphinyl)oxy]-2-pentenedioic Acid Dimethyl Ester,Dimethyl 3-hydroxyglutaconate dimethyl phosphate,General Chemicals 3707,Dimethyl-1,3-di(carbomethoxy)-1-propen-2-yl phosphate,ENT 24,833,GC 3707
IUPAC Name dimethyl 3-dimethoxyphosphoryloxypent-2-enedioate
Molecular Formula C9H15O8P
13

Phosphorylethanolamine, TRC

CAS: 1071-23-4 Molecular Formula: C2 H8 N O4 P Molecular Weight (g/mol): 141.06 Synonym: 2-Aminoethanol 1-(dihydrogen phosphate),Ethanol, 2-amino-, dihydrogen phosphate (ester) (8CI,9CI),Ethanol, 2-amino-, phosphate (6CI),Phosphoric acid, 2-aminoethyl ester (6CI),2-Aminoethanol O-phosphate,2-Aminoethyl dihydrogen phosphate,Colamine phosphate,Ethanolamine O-phosphate,Mono(2-aminoethyl) phosphate,Monoaminoethyl phosphate,NSC 254167,O-Phosphoethanolamine,O-Phosphorylethanolamine,Phosphoethanolamine,Phosphonoethanolamine,Phosphorylethanolamine IUPAC Name: 2-aminoethyl dihydrogen phosphate SMILES: NCCOP(=O)(O)O

CAS 1071-23-4
Molecular Weight (g/mol) 141.06
SMILES NCCOP(=O)(O)O
Synonym 2-Aminoethanol 1-(dihydrogen phosphate),Ethanol, 2-amino-, dihydrogen phosphate (ester) (8CI,9CI),Ethanol, 2-amino-, phosphate (6CI),Phosphoric acid, 2-aminoethyl ester (6CI),2-Aminoethanol O-phosphate,2-Aminoethyl dihydrogen phosphate,Colamine phosphate,Ethanolamine O-phosphate,Mono(2-aminoethyl) phosphate,Monoaminoethyl phosphate,NSC 254167,O-Phosphoethanolamine,O-Phosphorylethanolamine,Phosphoethanolamine,Phosphonoethanolamine,Phosphorylethanolamine
IUPAC Name 2-aminoethyl dihydrogen phosphate
Molecular Formula C2 H8 N O4 P
14

Larotaxel, TRC

CAS: 156294-36-9 Molecular Formula: C45 H53 N O14 Molecular Weight (g/mol): 831.9 Synonym: (αR,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoic Acid (1S,2S,4S,7R,8aR,9aS,10aR,12aS,12bR)-7,12a-Bis(acetyloxy)-1-(benzoyloxy)-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2-hydroxy-5,13,13-trimethyl-8-oxo-2,6-methano-2H-cyclodeca[3,4]cyclopropa[4,5]benz[1,2-b]oxet-4-yl Ester,PNU 100940; SMILES: CC(=O)O[C@H]1C(=O)[C@]23C[C@H]2C[C@H]4OC[C@@]4(OC(=O)C)[C@H]3[C@H](OC(=O)c5ccccc5)[C@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C1C6(C)C)C

CAS 156294-36-9
Molecular Weight (g/mol) 831.9
SMILES CC(=O)O[C@H]1C(=O)[C@]23C[C@H]2C[C@H]4OC[C@@]4(OC(=O)C)[C@H]3[C@H](OC(=O)c5ccccc5)[C@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c7ccccc7)C(=C1C6(C)C)C
Synonym (αR,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoic Acid (1S,2S,4S,7R,8aR,9aS,10aR,12aS,12bR)-7,12a-Bis(acetyloxy)-1-(benzoyloxy)-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2-hydroxy-5,13,13-trimethyl-8-oxo-2,6-methano-2H-cyclodeca[3,4]cyclopropa[4,5]benz[1,2-b]oxet-4-yl Ester,PNU 100940;
Molecular Formula C45 H53 N O14
15

Trimethylphloroglucinol, TRC

CAS: 4463-03-0 Molecular Formula: C9 H12 O3 Molecular Weight (g/mol): 168.19 Synonym: 2,4,6-trimethylbenzene-1,3,5-triol,2,4,6-Trimethyl-1,3,5-benzenetriol; IUPAC Name: 2,4,6-trimethylbenzene-1,3,5-triol SMILES: Cc1c(O)c(C)c(O)c(C)c1O

CAS 4463-03-0
Molecular Weight (g/mol) 168.19
SMILES Cc1c(O)c(C)c(O)c(C)c1O
Synonym 2,4,6-trimethylbenzene-1,3,5-triol,2,4,6-Trimethyl-1,3,5-benzenetriol;
IUPAC Name 2,4,6-trimethylbenzene-1,3,5-triol
Molecular Formula C9 H12 O3