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Substance Name: Doxibetasol [INN:BAN]
RN: 1879-77-2
UNII: 0JS043FG0D
InChIKey: IKGBPSZWCRRUQS-DTAAKRQUSA-N

Molecular Formula

  • C22-H29-F-O4

Molecular Weight

  • 376.4651
 
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Names and Synonyms

Name of Substance

  • Doxibetasol [INN:BAN]

Synonyms

  • Doxibetasol
  • Doxibetasolum
  • Doxibetasolum [INN-Latin]
  • EINECS 217-535-2
  • GR 2/443
  • GR 2/443 [as propionate]
  • UNII-0JS043FG0D

Systematic Names

  • 9-Fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione
  • Doxibetasol

Registry Numbers

CAS Registry Number

  • 1879-77-2

FDA UNII

  • 0JS043FG0D

System Generated Number

  • 0001879772

Structure Descriptors

InChI

1S/C22H29FO4/c1-12-9-17-16-6-5-14-10-15(25)7-8-19(14,3)21(16,23)18(26)11-20(17,4)22(12,27)13(2)24/h7-8,10,12,16-18,26-27H,5-6,9,11H2,1-4H3/t12-,16-,17-,18-,19-,20-,21-,22-/m0/s1

InChIKey

IKGBPSZWCRRUQS-DTAAKRQUSA-N

Smiles

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)C)O)C)O)F)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.35 (none)   EXP
Atmospheric OH Rate Constant 6.70E-11 cm3/molecule-sec 25 EST

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