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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H44NO7S.Na
Molecular Weight 539.677
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM TAUROCHOLATE-24-14C

SMILES

[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CC[14C](=O)NCCS([O-])(=O)=O

InChI

InChIKey=JAJWGJBVLPIOOH-CBLGSMCUSA-M
InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1/i23+2;

HIDE SMILES / InChI

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

Molecular Formula C26H44NO7S
Molecular Weight 516.688
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:40:48 UTC 2023
Edited
by admin
on Thu Jul 06 20:40:48 UTC 2023
Record UNII
25R9CK7UTX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM TAUROCHOLATE-24-14C
Systematic Name English
ETHANESULFONIC ACID, 2-(((3.BETA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL-24-14C)AMINO)-, MONOSODIUM SALT
Systematic Name English
Code System Code Type Description
PUBCHEM
134687202
Created by admin on Thu Jul 06 20:40:49 UTC 2023 , Edited by admin on Thu Jul 06 20:40:49 UTC 2023
PRIMARY
CAS
51407-19-3
Created by admin on Thu Jul 06 20:40:49 UTC 2023 , Edited by admin on Thu Jul 06 20:40:49 UTC 2023
PRIMARY
FDA UNII
25R9CK7UTX
Created by admin on Thu Jul 06 20:40:49 UTC 2023 , Edited by admin on Thu Jul 06 20:40:49 UTC 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED