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641-81-6

641-81-6 structure
641-81-6 structure
  • Name: Chol-8(14)-en-24-oicacid, 3,12-dihydroxy-, (3a,5b,12a)
  • Chemical Name: (4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
  • CAS Number: 641-81-6
  • Molecular Formula: C24H38O4
  • Molecular Weight: 390.56
  • Catalog: Research Areas Metabolic Disease
  • Create Date: 2018-02-12 08:00:00
  • Modify Date: 2025-08-27 15:48:48
  • Apocholic acid, a Bile acid, is an endogenous metabolite[1].

Name (4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Synonyms Apocholic acid (ACA)
5-BETA,18-CHOLEN-24-OIC ACID-3-ALPHA,12-ALPHA-DIOL
3ALPHA,12ALPHA-DIHYDROXY-5BETA-CHOL-8EN-24-OIC ACID
8, (5β)-CHOLENIC ACID-3α, 12α-DIOL
3α,12α-dihydroxy-5β,8-cholen-24-oic acid
(4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid
3ALPHA,12ALPHA-DIHYDROXY-5BETA,8-CHOLEN-24-OIC ACID
APOCHOLIC ACID
Apocholic acid/(3α,5β,12α)-3,12-Dihydroxychol-8-en-24-oic acid (ACI)/5β-Chol-8-en-24-oic acid, 3α,12α-dihydroxy- (8CI)/5β-Chol-8-enic acid, 3α,12α-dihydroxy- (6CI, 7CI)/3α,12α-Dihydroxy-5β-chol-8-en-24-oic acid/NSC 18170/NSC
Apocholic acid
8,5BETA-CHOLENIC-3ALPHA,12ALPHA-DIOL
3α,12α-Dihydroxy-5β,8-cholen-24-oic acid, 3α,12α-Dihydroxy-5β-chol-8en-24-oic acid, 5β,8-Cholen-24-oic acid-3α,12α-diol
acide apocholique
3-alpha,12-alpha-dihydroxy-5-beta-chol-8-en-24-oicaci
3,12-dihydroxy-,(3-alpha,5-beta,12-alpha)-chol-8-en-24-oicaci
5BETA,8-CHOLEN-24-OIC ACID-3ALPHA,12ALPHA-DIOL
8, (5-BETA)-CHOLENIC ACID-3-ALPHA, 12-ALPHA-DIOL
Apocholsaeure
alpha-apocholic acid
Chol-8(14)-en-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)
a-apocholic acid
5β,18-Cholen-24-Oic Acid-3α,12α-Diol
3α,12α-Dihydroxy-5β-chol-8-en-24-oic acid
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

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
WGK Germany 3
RTECS FZ5075000
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