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Substance Name: Diflucortolone pivalate [USAN]
RN: 15845-96-2
UNII: ZR05N78276
InChIKey: UWGRWFCLGQWKPR-GSTUPEFVSA-N

Classification Code

  • Glucocorticoid

Molecular Formula

  • C27-H36-F2-O5

Molecular Weight

  • 478.5724
 
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Names and Synonyms

Name of Substance

  • Diflucortolone pivalate [USAN]

Synonyms

  • 6alpha,9-Difluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-pivalate
  • Diflucortolone pivalate
  • EINECS 239-953-4
  • SH 968
  • UNII-ZR05N78276

Systematic Names

  • 6alpha,9-Difluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-pivalate
  • Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6alpha,11beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 15845-96-2

FDA UNII

  • ZR05N78276

System Generated Number

  • 0015845962

Structure Descriptors

InChI

1S/C27H36F2O5/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-26(18,6)27(17,29)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1

InChIKey

UWGRWFCLGQWKPR-GSTUPEFVSA-N

Smiles

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.86 (none)   EXP
Water Solubility 2.030 mg/L 25 EST
Vapor Pressure 7.34E-13 mm Hg 25 EST
Henry's Law Constant 9.21E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.95E-11 cm3/molecule-sec 25 EST

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