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Biotin and derivatives

Organic heterocyclic compounds and derivatives that consist of a ureido ring and a tetrahydrothiophene ring; ureido contains the radical: NH2CONH−, and tetrahydrothiophene is a five-membered ring consisting of four carbon atoms and a sulfur atom.

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1

(+)-Biotin (+)-Sulfoxide, TRC

CAS: 10406-89-0 Molecular Formula: C10 H16 N2 O4 S Molecular Weight (g/mol): 260.31 Synonym: 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, [3aS-(3aα,4β,5α,6aα)]-,Biotin, 5-oxide, (+)- (8CI),Biotin, D-S-oxide (6CI),(+)-Biotin (+)-sulfoxide,Biotin (+)-sulfoxide,Biotin d-sulfoxide,D-Biotin-d-sulfoxide IUPAC Name: 5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1=O

CAS 10406-89-0
Molecular Weight (g/mol) 260.31
SMILES OC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1=O
Synonym 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, [3aS-(3aα,4β,5α,6aα)]-,Biotin, 5-oxide, (+)- (8CI),Biotin, D-S-oxide (6CI),(+)-Biotin (+)-sulfoxide,Biotin (+)-sulfoxide,Biotin d-sulfoxide,D-Biotin-d-sulfoxide
IUPAC Name 5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Molecular Formula C10 H16 N2 O4 S
2

Biotin Sulfone, TRC

CAS: 40720-05-6 Molecular Formula: C10 H16 N2 O5 S Molecular Weight (g/mol): 276.31 Synonym: 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, [3aS-(3aα,4β,6aα)]-,Biotin, 5,5-dioxide (7CI),Biotin sulfone IUPAC Name: 5-[(3aS,4S,6aR)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O

CAS 40720-05-6
Molecular Weight (g/mol) 276.31
SMILES OC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2CS1(=O)=O
Synonym 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, [3aS-(3aα,4β,6aα)]-,Biotin, 5,5-dioxide (7CI),Biotin sulfone
IUPAC Name 5-[(3aS,4S,6aR)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Molecular Formula C10 H16 N2 O5 S
3

Biotinyl Tyramide, TRC

CAS: 41994-02-9 Molecular Formula: C18 H25 N3 O3 S Molecular Weight (g/mol): 363.47 Synonym: [3aS-(3aα,4β,6aα)]-Hexahydro-N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-, 1H-thieno[3,4-d]imidazole-5-pentanamide; IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pentanamide SMILES: Oc1ccc(CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1

CAS 41994-02-9
Molecular Weight (g/mol) 363.47
SMILES Oc1ccc(CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1
Synonym [3aS-(3aα,4β,6aα)]-Hexahydro-N-[2-(4-hydroxyphenyl)ethyl]-2-oxo-, 1H-thieno[3,4-d]imidazole-5-pentanamide;
IUPAC Name 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pentanamide
Molecular Formula C18 H25 N3 O3 S
4

(-)-Biotin Sulfoxide, TRC

CAS: 3376-83-8 Molecular Formula: C10 H16 N2 O4 S Molecular Weight (g/mol): 260.31 Synonym: 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, [3aS-(3aα,4β,5β,6aα)]-,Biotin, 5-oxide (7CI),Biotin, 5-oxide, (-)- (8CI),Biotin, L-S-oxide (6CI),(-)-Biotin sulfoxide,Biotin l-sulfoxide,Biotin sulfoxide IUPAC Name: 5-[(3aS,4R,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1=O

CAS 3376-83-8
Molecular Weight (g/mol) 260.31
SMILES OC(=O)CCCC[C@@H]1[C@H]2NC(=O)N[C@H]2CS1=O
Synonym 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5-oxide, [3aS-(3aα,4β,5β,6aα)]-,Biotin, 5-oxide (7CI),Biotin, 5-oxide, (-)- (8CI),Biotin, L-S-oxide (6CI),(-)-Biotin sulfoxide,Biotin l-sulfoxide,Biotin sulfoxide
IUPAC Name 5-[(3aS,4R,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Molecular Formula C10 H16 N2 O4 S
5

3’N-Benzyl Biotin, TRC

CAS: 57229-92-2 Molecular Formula: C17 H22 N2 O3 S Molecular Weight (g/mol): 334.43 Synonym: (3aS,4S,6aR)-Hexahydro-2-oxo-3-(phenylmethyl)-1H-thieno[3,4-d]imidazole-4-pentanoic Acid,1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-3-(phenylmethyl)-, [3aS-(3aα,4β,6aα)]-,5-[(3aS,4S,6aR)-1-Benzyl-2-oxohexahydrothieno[3,4-d]imidazol-4-yl]pentanoic Acid IUPAC Name: 5-[(3aS,4S,6aR)-3-benzyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N(Cc3ccccc3)[C@H]12

CAS 57229-92-2
Molecular Weight (g/mol) 334.43
SMILES OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N(Cc3ccccc3)[C@H]12
Synonym (3aS,4S,6aR)-Hexahydro-2-oxo-3-(phenylmethyl)-1H-thieno[3,4-d]imidazole-4-pentanoic Acid,1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-3-(phenylmethyl)-, [3aS-(3aα,4β,6aα)]-,5-[(3aS,4S,6aR)-1-Benzyl-2-oxohexahydrothieno[3,4-d]imidazol-4-yl]pentanoic Acid
IUPAC Name 5-[(3aS,4S,6aR)-3-benzyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Molecular Formula C17 H22 N2 O3 S
6

1’N-Benzyl Biotin, TRC

CAS: 76335-62-1 Molecular Formula: C17H22N2O3S Molecular Weight (g/mol): 334.43 Synonym: (3aS,4S,6aR)-Hexahydro-2-oxo-1-(phenylmethyl)-1H-thieno[3,4-d]imidazole-4-pentanoic Acid,1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-1-(phenylmethyl)-, [3aS-(3aα,4β,6aα)]-,Thieno[3,4-d]imidazoline-4-valeric acid, 1-benzyltetrahydro-2-oxo- (7CI),5-[(3aS,4S,6aR)-3-Benzyl-2-oxohexahydrothieno[3,4-d]imidazol-4-yl]pentanoic Acid IUPAC Name: 5-[(3aR,6S,6aS)-3-benzyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid SMILES: OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2Cc3ccccc3

CAS 76335-62-1
Molecular Weight (g/mol) 334.43
SMILES OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2Cc3ccccc3
Synonym (3aS,4S,6aR)-Hexahydro-2-oxo-1-(phenylmethyl)-1H-thieno[3,4-d]imidazole-4-pentanoic Acid,1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-1-(phenylmethyl)-, [3aS-(3aα,4β,6aα)]-,Thieno[3,4-d]imidazoline-4-valeric acid, 1-benzyltetrahydro-2-oxo- (7CI),5-[(3aS,4S,6aR)-3-Benzyl-2-oxohexahydrothieno[3,4-d]imidazol-4-yl]pentanoic Acid
IUPAC Name 5-[(3aR,6S,6aS)-3-benzyl-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanoic acid
Molecular Formula C17H22N2O3S
7

Biotin, TRC

CAS: 58-85-5 Molecular Formula: C10 H16 N2 O3 S Molecular Weight (g/mol): 244.31 Synonym: 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aα,4β,6aα)]-,Biotin (8CI),(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid,(+)-Biotin,(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid,5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid,Biodermatin,Bioepiderm,Bios II,Coenzyme R,D(+)-Biotin,D-Biotin,Factor S,Factor S (vitamin),Lutavit H2,MD 1003,Medebiotin,Meribin,NSC 63865,Rovimix H 2,Vitamin B7,Vitamin H,Vitamin I,cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid,d-Biotin IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12

CAS 58-85-5
Molecular Weight (g/mol) 244.31
SMILES OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Synonym 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aα,4β,6aα)]-,Biotin (8CI),(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid,(+)-Biotin,(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid,5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid,Biodermatin,Bioepiderm,Bios II,Coenzyme R,D(+)-Biotin,D-Biotin,Factor S,Factor S (vitamin),Lutavit H2,MD 1003,Medebiotin,Meribin,NSC 63865,Rovimix H 2,Vitamin B7,Vitamin H,Vitamin I,cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid,d-Biotin
IUPAC Name 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Molecular Formula C10 H16 N2 O3 S
8

9-Methyl Biotin (mixture of diastereomers), TRC

CAS: 415725-35-8 Molecular Formula: C11 H18 N2 O3 S Molecular Weight (g/mol): 258.34 Synonym: (3aS,4S,6aR)-Hexahydro-α-methyl-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic Acid,2-Methyl-5-[(3aS,4S,6aR)-2-oxohexahydrothieno[3,4-d]imidazol-4-yl]pentanoic Acid,Biotin Imp. D (EP) IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-methylpentanoic acid SMILES: CC(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O

CAS 415725-35-8
Molecular Weight (g/mol) 258.34
SMILES CC(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)O
Synonym (3aS,4S,6aR)-Hexahydro-α-methyl-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic Acid,2-Methyl-5-[(3aS,4S,6aR)-2-oxohexahydrothieno[3,4-d]imidazol-4-yl]pentanoic Acid,Biotin Imp. D (EP)
IUPAC Name 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-methylpentanoic acid
Molecular Formula C11 H18 N2 O3 S