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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H37O4.Na
Molecular Weight 412.5379
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM APOCHOLATE

SMILES

[Na+].[H][C@@]1(CCC2=C3CC[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=GGYLZKVIYWFOEG-ZIEWEEOPSA-M
InChI=1S/C24H38O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,18-,20+,21+,23+,24-;/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 C24H37O4
Molecular Weight 389.5482
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Apocholic acid is a product of mild dehydration of cholic acid. Apocholic acid is powerful complexing and enolizing agent, giving stable addition-compounds (“choleric acids”) with numerous organic molecules. It was shown, that apocholic acid is able to produce tumors in situ. Apocholic acid was found to have a decreasing effect on the cholesterol level of both the plasma and the liver of rats.

Originator

Sources: DOI: 10.1002/cber.19220550810

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
[About steroids and sex hormones; on the hydrogenation of the oxides of apocholic acid and delta 14,15-dioxy-cholenic acid].
1945
Carcinogenic activity of apocholic acid.
1961 Jun 10
Patents

Patents

Sample Use Guides

Rat: 10 mg per rat daily
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:01:15 GMT 2023
Edited
by admin
on Sat Dec 16 11:01:15 GMT 2023
Record UNII
U2L03X5GY0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM APOCHOLATE
Common Name English
5-.BETA.-CHOL-8(14)-EN-24-OIC ACID, 3-.ALPHA.,12-.ALPHA.-DIHYDROXY-, SODIUM SALT
Systematic Name English
APOCHOLIC ACID, SODIUM SALT
Common Name English
5-BETA-CHOL-8(14)-EN-24-OIC ACID, 3-ALPHA,12-ALPHA-DIHYDROXY-, SODIUM SALT
Systematic Name English
Code System Code Type Description
PUBCHEM
101326861
Created by admin on Sat Dec 16 11:01:15 GMT 2023 , Edited by admin on Sat Dec 16 11:01:15 GMT 2023
PRIMARY
CAS
63949-02-0
Created by admin on Sat Dec 16 11:01:15 GMT 2023 , Edited by admin on Sat Dec 16 11:01:15 GMT 2023
PRIMARY
FDA UNII
U2L03X5GY0
Created by admin on Sat Dec 16 11:01:15 GMT 2023 , Edited by admin on Sat Dec 16 11:01:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID80981287
Created by admin on Sat Dec 16 11:01:15 GMT 2023 , Edited by admin on Sat Dec 16 11:01:15 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY