CHOLYLSARCOSINE SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44NO6.Na
Molecular Weight	501.6311
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)CCC(=O)N(C)CC([O-])=O

InChI

InChIKey=VHVDQXUBFQWQAU-QPHXFTIQSA-M

InChI=1S/C27H45NO6.Na/c1-15(5-8-23(32)28(4)14-24(33)34)18-6-7-19-25-20(13-22(31)27(18,19)3)26(2)10-9-17(29)11-16(26)12-21(25)30;/h15-22,25,29-31H,5-14H2,1-4H3,(H,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,25+,26+,27-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C27H44NO6
Molecular Weight	478.6414
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 10:56:46 GMT 2023` Edited by `admin` on `Sat Dec 16 10:56:46 GMT 2023`
Record UNII	0026F8BCCU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHOLYLSARCOSINE SODIUM

Common Name

English

SODIUM N-METHYLGLYCYLCHOLATE

Common Name

English

SODIUM N-METHYLGLYCOCHOLATE

Common Name

English

GLYCINE, N-METHYL-N-((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)-, SODIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

72941716

Created by admin on Sat Dec 16 10:56:46 GMT 2023 , Edited by admin on Sat Dec 16 10:56:46 GMT 2023

PRIMARY

CAS

165048-60-2

Created by admin on Sat Dec 16 10:56:46 GMT 2023 , Edited by admin on Sat Dec 16 10:56:46 GMT 2023

PRIMARY

FDA UNII

0026F8BCCU

Created by admin on Sat Dec 16 10:56:46 GMT 2023 , Edited by admin on Sat Dec 16 10:56:46 GMT 2023

PRIMARY

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CHOLYLSARCOSINE

PARENT -> SALT/SOLVATE