TAUROCHOLIC ACID 24C-14

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H45NO7S
Molecular Weight	517.696
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[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=WBWWGRHZICKQGZ-CYPIHDOUSA-N

InChI=1S/C26H45NO7S/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)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1/i23+2

HIDE SMILES / InChI

Molecular Formula	C26H45NO7S
Molecular Weight	517.696
Charge	0
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 `Wed Jul 05 23:17:08 UTC 2023` Edited by `admin` on `Wed Jul 05 23:17:08 UTC 2023`
Record UNII	5I7WUL2E3O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAUROCHOLIC ACID 24C-14

Common Name

English

ETHANESULFONIC ACID, 2-(((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL-24-14C)AMINO)-

Systematic Name

English

Code System Code Type Description

CAS

93632-77-0

Created by admin on Wed Jul 05 23:17:08 UTC 2023 , Edited by admin on Wed Jul 05 23:17:08 UTC 2023

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PUBCHEM

134160111

Created by admin on Wed Jul 05 23:17:08 UTC 2023 , Edited by admin on Wed Jul 05 23:17:08 UTC 2023

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FDA UNII

5I7WUL2E3O

Created by admin on Wed Jul 05 23:17:08 UTC 2023 , Edited by admin on Wed Jul 05 23:17:08 UTC 2023

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