SODIUM HYODEOXYCHOLATE

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[C@H](O)[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=DUYSCILLIVEITB-ADQIWYCWSA-M

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

HIDE SMILES / InChI

Molecular Formula	C24H39O4
Molecular Weight	391.5641
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 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 15:23:54 UTC 2023` Edited by `admin` on `Fri Dec 15 15:23:54 UTC 2023`
Record UNII	HBY71R8HO2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM HYODEOXYCHOLATE

Common Name

English

CHOLAN-24-OIC ACID, 3,6-DIHYDROXY-, SODIUM SALT (1:1), (3.ALPHA.,5.BETA.,6.ALPHA.)-

Systematic Name

English

SODIUM HYODESOXYCHOLATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60908871