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Substance Name: 21-Deoxybetamethasone 17-propionate
RN: 4351-48-8
UNII: 5J8MF9TDIU
InChIKey: ZAQGQQMIBBCIRM-RDEWRQEPSA-N

Molecular Formula

  • C25-H33-F-O5

Molecular Weight

  • 432.529
 
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Names and Synonyms

Name of Substance

  • 21-Deoxybetamethasone 17-propionate

Synonyms

  • EINECS 224-414-8
  • UNII-5J8MF9TDIU

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 4351-48-8

FDA UNII

  • 5J8MF9TDIU

System Generated Number

  • 0004351488

Structure Descriptors

InChI

1S/C25H33FO5/c1-6-21(30)31-25(15(3)27)14(2)11-19-18-8-7-16-12-17(28)9-10-22(16,4)24(18,26)20(29)13-23(19,25)5/h9-10,12,14,18-20,29H,6-8,11,13H2,1-5H3/t14-,18-,19-,20-,22-,23-,24-,25-/m0/s1

InChIKey

ZAQGQQMIBBCIRM-RDEWRQEPSA-N

Smiles

C=1[C@@]2([C@@]3([C@H](C[C@@]4([C@@]([C@H](C[C@@H]4[C@@H]3CCC2=CC(C1)=O)C)(OC(=O)CC)C(=O)C)C)O)F)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.09 (none)   EXP
Water Solubility 14.3 mg/L 25 EST
Vapor Pressure 3.62E-12 mm Hg 25 EST
Henry's Law Constant 6.58E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.73E-11 cm3/molecule-sec 25 EST

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