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Substance Name: Oxabolone
RN: 4721-69-1
UNII: 51RPF719WE
InChIKey: GXHBCWCMYVTJOW-YGRHGMIBSA-N

Molecular Formula

  • C18-H26-O3

Molecular Weight

  • 290.4004
 
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Names and Synonyms

Name of Substance

  • Oxabolone

Synonyms

  • 4,17beta-Dihydroxyestr-4-en-3-one
  • 4-Hydroxy-19-nortestosterone
  • EINECS 225-212-2
  • Oxabolone
  • UNII-51RPF719WE

Systematic Names

  • Estr-4-en-3-one, 4,17-dihydroxy-, (17beta)-
  • Estr-4-en-3-one, 4,17beta-dihydroxy-
  • Oxabolone

Registry Numbers

CAS Registry Number

  • 4721-69-1

FDA UNII

  • 51RPF719WE

System Generated Number

  • 0004721691

Structure Descriptors

InChI

1S/C18H26O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h10-12,14,16,20-21H,2-9H2,1H3/t10-,11-,12-,14+,16+,18+/m1/s1

InChIKey

GXHBCWCMYVTJOW-YGRHGMIBSA-N

Smiles

C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 189 deg C   EXP
log P (octanol-water) 3.250 (none)   EST
Atmospheric OH Rate Constant 1.31E-10 cm3/molecule-sec 25 EST

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