SODIUM CHENODEOXYCHOLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H39O4.Na
Molecular Weight	414.5538
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-])=O

InChI

InChIKey=WDFRNBJHDMUMBL-OICFXQLMSA-M

InChI=1S/C24H40O4.Na/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C24H39O4
Molecular Weight	391.5641
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
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 15:14:07 UTC 2023` Edited by `admin` on `Fri Dec 15 15:14:07 UTC 2023`
Record UNII	6V4571KSKE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM CHENODEOXYCHOLATE

Official Name

English

CHENODEOXYCHOLIC ACID, SODIUM SALT

Common Name

English

CHENODEOXYCHOLIC ACID SODIUM SALT

Common Name

English

CHENODESOXYCHOLIC ACID SODIUM SALT

Common Name

English

NSC-681066

Code

English

SODIUM CHENODESOXYCHOLATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66913