CHENYL TAURINE SODIUM

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 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])CC[C@]12C)[C@H](C)CCC(=O)NCCS([O-])(=O)=O

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	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	C26H44NO6S
Molecular Weight	498.696
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 16 17:07:23 UTC 2022` Edited by `admin` on `Fri Dec 16 17:07:23 UTC 2022`
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

NSC

681055

Created by admin on Fri Dec 16 17:07:23 UTC 2022 , Edited by admin on Fri Dec 16 17:07:23 UTC 2022

PRIMARY

FDA UNII

P2SD3PHQ3Y

Created by admin on Fri Dec 16 17:07:23 UTC 2022 , Edited by admin on Fri Dec 16 17:07:23 UTC 2022

PRIMARY

PUBCHEM

23664008

Created by admin on Fri Dec 16 17:07:23 UTC 2022 , Edited by admin on Fri Dec 16 17:07:23 UTC 2022

PRIMARY

CAS

6009-98-9

Created by admin on Fri Dec 16 17:07:23 UTC 2022 , Edited by admin on Fri Dec 16 17:07:23 UTC 2022

PRIMARY

Related Record Type Details


					651KU15938

TAUROCHENODEOXYCHOLIC ACID

PARENT -> SALT/SOLVATE


					570V991KGQ

SOLUTE CARRIER FAMILY 21 MEMBER 3

TRANSPORTER -> SUBSTRATE