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Cholenic acid

Cholenic acid structure

CAS No:
5255-17-4
Formula:
C24H38O3
Chemical Name:
Cholenic acid
Synonyms:
Chol-5-en-24-oic acid,3-hydroxy-,(3β)-;Chol-5-en-24-oic acid,3β-hydroxy-;Chol-5-enic acid,3β-hydroxy-;(3β)-3-Hydroxychol-5-en-24-oic acid;3β-Hydroxychol-5-enoic acid;3β-Hydroxychol-5-en-24-ic acid;Δ5-Cholenic acid;3β-Hydroxychol-5-en-24-oic acid;3β-Hydroxy-5-cholenic acid;3β-Hydroxycholenoic acid;Cholenic acid;Δ5-3β-Hydroxycholenic acid;3β-Hydroxy-Δ5-cholenic acid;ZINC 04831336
Categories:
Active Pharmaceutical Ingredients > Digestive System Drugs

Description

3b-Hydroxy-5-cholenoic acid is a monohydroxy bile acid of endogenous origin and could be found in children with the syndrome of hepatic ductular hypoplasia.

Solid

3b-Hydroxy-5-cholenoic acid is a steroid.

Cholenic acid Basic Attributes

Molecular Weight：

374.56

Exact Mass：

374.56

Characteristics

PSA：

57.53000

XLogP3：

5.42720

Appearance：

Solid

Density：

1.11 g/cm3

Melting Point：

169-170 °C

Boiling Point：

522.8ºC at 760 mmHg

Flash Point：

284.1ºC

Refractive Index：

-39.5 ° (C=1, Dioxane)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Drug Information

MeSH Entry Terms：

3 beta-hydroxy-5-cholenic acid

Cholenic acid Use and Manufacturing

Use Classification：

Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C24 bile acids, alcohols, and derivatives [ST0401]

Computed Properties

Molecular Weight:374.6
XLogP3:5.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:374.28209507
Monoisotopic Mass:374.28209507
Topological Polar Surface Area:57.5
Heavy Atom Count:27
Complexity:625
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes