SODIUM TAUROCHOLATE-24-14C

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 Search

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	C26H44NO7S
Molecular Weight	516.688
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
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 Dec 16 15:07:06 UTC 2023` Edited by `admin` on `Sat Dec 16 15:07:06 UTC 2023`
Record UNII	25R9CK7UTX
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 15:07:06 UTC 2023 , Edited by admin on Sat Dec 16 15:07:06 UTC 2023

PRIMARY

CAS

51407-19-3

Created by admin on Sat Dec 16 15:07:06 UTC 2023 , Edited by admin on Sat Dec 16 15:07:06 UTC 2023

PRIMARY

FDA UNII

25R9CK7UTX

Created by admin on Sat Dec 16 15:07:06 UTC 2023 , Edited by admin on Sat Dec 16 15:07:06 UTC 2023

PRIMARY

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