Chol-8(14)-en-24-oicacid, 3,12-dihydroxy-, (3a,5b,12a)-

Names

[ CAS No. ]:
641-81-6

[ Name ]:
Chol-8(14)-en-24-oicacid, 3,12-dihydroxy-, (3a,5b,12a)-

[Synonym ]:
Apocholic acid
a-apocholic acid
Apocholsaeure
acide apocholique

Biological Activity

[Description]:

Apocholic acid, a Bile acid, is an endogenous metabolite[1].

[Related Catalog]:

Research Areas >> Metabolic Disease

[References]

[1]. Liqing He, et al. Metabolic Profiling of Bile Acids in the Urine of Patients with Alcohol-Associated Liver Disease. Hepatol Commun. 2021 Jan 20;5(5):798-811.

Chemical & Physical Properties

[ Density]:
1.17g/cm3

[ Boiling Point ]:
560.5ºC at 760 mmHg

[ Melting Point ]:
175-176ºC(lit.)

[ Molecular Formula ]:
C₂₄H₃₈O₄

[ Molecular Weight ]:
390.56

[ Flash Point ]:
306.8ºC

[ Exact Mass ]:
390.27700

[ PSA ]:
77.76000

[ LogP ]:
4.54210

[ Index of Refraction ]:
1.567

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: FZ5075000

CHEMICAL NAME :: 5-beta-Chol-8(14)-en-24-oic acid, 3-alpha,12-alpha-dihydroxy-

CAS REGISTRY NUMBER :: 641-81-6

BEILSTEIN REFERENCE NO. :: 3222755

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C24-H38-O4

MOLECULAR WEIGHT :: 390.62

WISWESSER LINE NOTATION :: L E5 B666TJ A1 DQ E1 FY1&2VQ OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg/13W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

REFERENCE :: NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 190,1007,1961

Safety Information

[ WGK Germany ]:
3

[ RTECS ]:
FZ5075000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Related Compounds

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