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Substance Name: Betamethasone 21-valerate (beta)
RN: 2240-28-0
UNII: BW52JZ3627
InChIKey: FEROCCAEIIKMJT-SUYDQAKGSA-N

Molecular Formula

  • C27-H37-F-O6

Molecular Weight

  • 476.5813
 
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Names and Synonyms

Results Name

  • Betamethasone 21-valerate (beta)

Name of Substance

  • Betamethasone 21-valerate

Synonyms

  • Betamethasone 21-valerate
  • UNII-BW52JZ3627

Systematic Names

  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-((1-oxopentyl)oxy)-, (11beta,16beta)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17-dihydroxy-16beta-methyl-21-((1-oxopentyl)oxy)-

Registry Numbers

CAS Registry Number

  • 2240-28-0

FDA UNII

  • BW52JZ3627

Other Registry Number

  • 31261-42-4

System Generated Number

  • 0002240280

Structure Descriptors

InChI

1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1

InChIKey

FEROCCAEIIKMJT-SUYDQAKGSA-N

Smiles

CCCCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.87 (none)   EXP
Water Solubility 0.501 mg/L 25 EST
Vapor Pressure 8.25E-15 mm Hg 25 EST
Henry's Law Constant 1.81E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.11E-11 cm3/molecule-sec 25 EST

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