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Substance Name: Hydrocortisone caproate
RN: 3593-96-2
UNII: SAE475O6E4
InChIKey: XZSVYVIYKBHVMV-FOMYWIRZSA-N

Molecular Formula

  • C27-H40-O6

Molecular Weight

  • 460.607
 
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Names and Synonyms

Name of Substance

  • Hydrocortisone caproate

Synonyms

  • EINECS 222-737-9
  • UNII-SAE475O6E4

Systematic Name

  • 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-hexanoate

Registry Numbers

CAS Registry Number

  • 3593-96-2

FDA UNII

  • SAE475O6E4

System Generated Number

  • 0003593962

Structure Descriptors

InChI

1S/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1

InChIKey

XZSVYVIYKBHVMV-FOMYWIRZSA-N

Smiles

C=12[C@@](CCC(C1)=O)(C)[C@H]1[C@H](C[C@@]3([C@H]([C@@H]1CC2)CC[C@@]3(C(COC(=O)CCCCC)=O)O)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.48 (none)   EXP
Water Solubility 0.191 mg/L 25 EST
Vapor Pressure 4.54E-15 mm Hg 25 EST
Henry's Law Constant 1.94E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.17E-10 cm3/molecule-sec 25 EST

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