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Substance Name: Epidihydrocholesterin [JAN]
RN: 516-95-0
UNII: 87MLH50B7Q
InChIKey: QYIXCDOBOSTCEI-FBVYSKEZSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C27-H48-O

Molecular Weight

  • 388.675
 
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Names and Synonyms

Name of Substance

  • Epidihydrocholesterin [JAN]

Synonyms

  • (3-alpha,5-alpha)-Cholestan-3-ol
  • 3alpha-Hydroxy-5alpha-cholestane
  • 5alpha-Cholestan-3alpha-ol
  • Cholestan-3alpha-ol
  • EINECS 208-228-4
  • epi-Cholestanol
  • Epicholestanol
  • Epidehydrocholesterin
  • Epidihydrocholesterin
  • Presteron
  • UNII-87MLH50B7Q

Systematic Names

  • (3alpha,5alpha)-Cholestan-3-ol
  • 5-alpha-Cholestan-3-alpha-ol
  • alpha-Cholestanol (7CI)
  • Cholestan-3-alpha-ol
  • Cholestan-3-ol, (3-alpha,5-alpha)- (9CI)
  • Cholestan-3-ol, (3alpha,5alpha)-

Registry Numbers

CAS Registry Number

  • 516-95-0

FDA UNII

  • 87MLH50B7Q

Other Registry Number

  • 1380-69-4

System Generated Number

  • 0000516950

Structure Descriptors

InChI

1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

QYIXCDOBOSTCEI-FBVYSKEZSA-N

Smiles

C1[C@H](C[C@@H]2CC[C@@H]3[C@@H](CC[C@@]4([C@H](CC[C@@H]34)[C@@H](CCCC(C)C)C)C)[C@@]2(C1)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intramuscular > 200mg/kg (200mg/kg)   Drugs in Japan Vol. -, Pg. 196, 1990.
mouse LD intraperitoneal > 200mg/kg (200mg/kg)   Drugs in Japan Vol. -, Pg. 196, 1990.
mouse LD subcutaneous > 200mg/kg (200mg/kg)   Drugs in Japan Vol. -, Pg. 196, 1990.
rat LD intramuscular > 200mg/kg (200mg/kg)   Drugs in Japan Vol. -, Pg. 196, 1990.
rat LD intraperitoneal > 200mg/kg (200mg/kg)   Drugs in Japan Vol. -, Pg. 196, 1990.
rat LD subcutaneous > 200mg/kg (200mg/kg)   Drugs in Japan Vol. -, Pg. 196, 1990.
rat LD50 oral > 1500mg/kg (1500mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 13, Pg. 1256, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 185.5 deg C   EXP
log P (octanol-water) 8.820 (none)   EST
Atmospheric OH Rate Constant 4.80E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.