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CAS RN 14605-22-2

CH3(R)OHNSOHOO(R)(S)OH(S)(R)HO(S)CH3(R)CH3

CAS RN 14605-22-2

IUPAC Name: 2-[(4R)-4-[(1R,4S,5aS,7R,9aS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonic acid
Synonyms: tauroursodeoxycholic acid
Molecular Weight (g/mol): 499.71
Molecular Formula: C26H45NO6S
InChi Key: BHTRKEVKTKCXOH-AYSJQVDDSA-N
SMILES: C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CCC2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
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Tauroursodeoxycholic Acid, TRC

CAS: 14605-22-2 Molecular Formula: C26 H45 N O6 S Molecular Weight (g/mol): 499.7 Synonym: Ethanesulfonic acid, 2-[[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-,Taurine, N-(3α,7β-dihydroxy-5β-cholan-24-oyl)- (8CI),Tauroursodeoxycholic acid (6CI,7CI),2-[[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic acid,Cholane, ethanesulfonic acid deriv.,3α,7β-Dihydroxy-5β-cholanoyltaurine,Taurolite,UR 906,Ursodeoxycholyltaurine IUPAC Name: 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]ethanesulfonic acid SMILES: 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

CAS 14605-22-2
Molecular Weight (g/mol) 499.7
SMILES 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 Ethanesulfonic acid, 2-[[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-,Taurine, N-(3α,7β-dihydroxy-5β-cholan-24-oyl)- (8CI),Tauroursodeoxycholic acid (6CI,7CI),2-[[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic acid,Cholane, ethanesulfonic acid deriv.,3α,7β-Dihydroxy-5β-cholanoyltaurine,Taurolite,UR 906,Ursodeoxycholyltaurine
IUPAC Name 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]ethanesulfonic acid
Molecular Formula C26 H45 N O6 S