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Substance Name: Allopregnane
RN: 641-85-0
UNII: ZTF5KN7S9R
InChIKey: JWMFYGXQPXQEEM-GCOKGBOCSA-N

Molecular Formula

  • C21-H36

Molecular Weight

  • 288.5154
 
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Names and Synonyms

Name of Substance

  • Allopregnane

Synonyms

  • 5alpha-Pregnane
  • Allopregnane
  • EINECS 211-378-3
  • UNII-ZTF5KN7S9R

Systematic Name

  • 5alpha-Pregnane

Registry Numbers

CAS Registry Number

  • 641-85-0

FDA UNII

  • ZTF5KN7S9R

System Generated Number

  • 0000641850

Structure Descriptors

InChI

1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1

InChIKey

JWMFYGXQPXQEEM-GCOKGBOCSA-N

Smiles

CC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 84.5 deg C   EXP
log P (octanol-water) 7.560 (none)   EST
Atmospheric OH Rate Constant 3.02E-11 cm3/molecule-sec 25 EST

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