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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+].C[C@H](CCC([O-])=O)[C@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

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 22.98976928
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

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

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Rat: 10 mg per rat daily
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
U2L03X5GY0
Record Status Validated (UNII)
Record Version