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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H44NO6S.Na
Molecular Weight 521.685
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM TAURODEOXYCHOLATE

SMILES

[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[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)NCCS([O-])(=O)=O

InChI

InChIKey=YXHRQQJFKOHLAP-FVCKGWAHSA-M
InChI=1S/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SODIUM TAURODEOXYCHOLATE
Common Name English
TAURODEOXYCHOLIC ACID SODIUM SALT
Common Name English
ETHANESULFONIC ACID, 2-(((3.ALPHA.,5.BETA.,12.ALPHA.)-3,12-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)-, MONOSODIUM SALT
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C83486
Created by admin on Fri Dec 15 15:05:34 UTC 2023 , Edited by admin on Fri Dec 15 15:05:34 UTC 2023
Code System Code Type Description
PUBCHEM
23664773
Created by admin on Fri Dec 15 15:05:34 UTC 2023 , Edited by admin on Fri Dec 15 15:05:34 UTC 2023
PRIMARY
NCI_THESAURUS
C80659
Created by admin on Fri Dec 15 15:05:34 UTC 2023 , Edited by admin on Fri Dec 15 15:05:34 UTC 2023
PRIMARY
CAS
1180-95-6
Created by admin on Fri Dec 15 15:05:34 UTC 2023 , Edited by admin on Fri Dec 15 15:05:34 UTC 2023
PRIMARY
FDA UNII
5PE424S83L
Created by admin on Fri Dec 15 15:05:34 UTC 2023 , Edited by admin on Fri Dec 15 15:05:34 UTC 2023
PRIMARY
RXCUI
1364852
Created by admin on Fri Dec 15 15:05:34 UTC 2023 , Edited by admin on Fri Dec 15 15:05:34 UTC 2023
PRIMARY RxNorm
ECHA (EC/EINECS)
214-652-0
Created by admin on Fri Dec 15 15:05:34 UTC 2023 , Edited by admin on Fri Dec 15 15:05:34 UTC 2023
PRIMARY
SMS_ID
300000023938
Created by admin on Fri Dec 15 15:05:34 UTC 2023 , Edited by admin on Fri Dec 15 15:05:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID00922591
Created by admin on Fri Dec 15 15:05:34 UTC 2023 , Edited by admin on Fri Dec 15 15:05:34 UTC 2023
PRIMARY