SODIUM CHOLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H39O5.Na
Molecular Weight	430.5532
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-])=O

InChI

InChIKey=NRHMKIHPTBHXPF-TUJRSCDTSA-M

InChI=1S/C24H40O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C24H39O5
Molecular Weight	407.5635
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 `Fri Dec 15 15:11:48 UTC 2023` Edited by `admin` on `Fri Dec 15 15:11:48 UTC 2023`
Record UNII	NU3Y4CCH8Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM CHOLATE

Official Name

English

Cholate sodium [WHO-DD]

Common Name

English

CHOLATE SODIUM

Common Name

English

CHOLIC ACID, SODIUM SALT

Common Name

English

SODIUM CHOLATE [INCI]

Common Name

English

CHOLAN-24-OIC ACID, 3,7,12-TRIHYDROXY-, MONOSODIUM SALT, (3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID9033979