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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H44NO6S.Na
Molecular Weight 521.6875
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHENYL TAURINE SODIUM

SMILES

C[C@]([H])(CCC(=NCCS(=O)(=O)O)[O-])[C@@]1([H])CC[C@@]2([H])[C@@]3([H])[C@]([H])(CC[C@]12C)[C@@]4(C)CC[C@]([H])(C[C@@]4([H])C[C@@]3([H])O)O.[Na+]

InChI

InChIKey=IYPNVUSIMGAJFC-HLEJRKHJSA-M
InChI=1S/C26H45NO6S.Na/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);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C26H44NO6S
Molecular Weight 498.6977
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 10:43:04 UTC 2021
Edited
by admin
on Sat Jun 26 10:43:04 UTC 2021
Record UNII
P2SD3PHQ3Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHENYL TAURINE SODIUM
Common Name English
TAURINE, N-(3.ALPHA.,7.ALPHA.-DIHYDROXY-5.BETA.-CHOLAN-24-OYL)-, MONOSODIUM SALT
Common Name English
NSC-681055
Code English
SODIUM TAUROCHENODEOXYCHOLATE
Common Name English
ETHANESULFONIC ACID, 2-(((3.ALPHA.,5.BETA.,7.ALPHA.)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)-, MONOSODIUM SALT
Common Name English
TAUROCHENODEOXY CHOLATE SODIUM SALT
Common Name English
TAUROCHENODEOXYCHOLIC ACID SODIUM SALT
Common Name English
ETHANESULFONIC ACID, 2-(((3.ALPHA.,5.BETA.,7.ALPHA.)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)-, SODIUM SALT (1:1)
Systematic Name English
SODIUM TAUROCHENODESOXYCHOLATE
Common Name English
Code System Code Type Description
FDA UNII
P2SD3PHQ3Y
Created by admin on Sat Jun 26 10:43:04 UTC 2021 , Edited by admin on Sat Jun 26 10:43:04 UTC 2021
PRIMARY
PUBCHEM
23664008
Created by admin on Sat Jun 26 10:43:04 UTC 2021 , Edited by admin on Sat Jun 26 10:43:04 UTC 2021
PRIMARY
CAS
6009-98-9
Created by admin on Sat Jun 26 10:43:04 UTC 2021 , Edited by admin on Sat Jun 26 10:43:04 UTC 2021
PRIMARY
Related Record Type Details
TRANSPORTER -> SUBSTRATE
PARENT -> SALT/SOLVATE