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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H45NO6S
Molecular Weight 499.704
Optical Activity ( + )
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAUROURSODEOXYCHOLIC 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

InChI

InChIKey=BHTRKEVKTKCXOH-LBSADWJPSA-N
InChI=1S/C26H45NO6S/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)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H45NO6S
Molecular Weight 499.704
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Mar 06 11:17:25 UTC 2018
Edited
by admin
on Tue Mar 06 11:17:25 UTC 2018
Record UNII
60EUX8MN5X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAUROURSODEOXYCHOLIC ACID
Common Name English
TAUROURSODESOXYCHOLIC ACID [WHO-DD]
Common Name English
TAUROURSODESOXYCHOLIC ACID
WHO-DD  
Common Name English
UR-906
Common Name English
3.ALPHA.,7.BETA.-DIHYDROXY-5.BETA.-CHOLANOYLTAURINE
Common Name English
URSODEOXYCHOLYLTAURINE
Common Name English
Code System Code Type Description
PUBCHEM
9848818
Created by admin on Tue Mar 06 11:17:25 UTC 2018 , Edited by admin on Tue Mar 06 11:17:25 UTC 2018
PRIMARY SWITZERF
CAS
14605-22-2
Created by admin on Tue Mar 06 11:17:25 UTC 2018 , Edited by admin on Tue Mar 06 11:17:25 UTC 2018
PRIMARY
MESH
C031655
Created by admin on Tue Mar 06 11:17:25 UTC 2018 , Edited by admin on Tue Mar 06 11:17:25 UTC 2018
PRIMARY
DRUG BANK
DB08834
Created by admin on Tue Mar 06 11:17:25 UTC 2018 , Edited by admin on Tue Mar 06 11:17:25 UTC 2018
PRIMARY
EVMPD
SUB20887
Created by admin on Tue Mar 06 11:17:25 UTC 2018 , Edited by admin on Tue Mar 06 11:17:25 UTC 2018
PRIMARY
WIKIPEDIA
TAUROURSODEOXYCHOLIC ACID
Created by admin on Tue Mar 06 11:17:25 UTC 2018 , Edited by admin on Tue Mar 06 11:17:25 UTC 2018
PRIMARY
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