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Substance Name: Artenimol [INN]
RN: 81496-81-3
UNII: X0UIV26ABX
InChIKey: BJDCWCLMFKKGEE-KDTBHNEXSA-N

Molecular Formula

  • C15-H24-O5

Molecular Weight

  • 284.3496
 
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Names and Synonyms

Name of Substance

  • Artenimol [INN]

Synonyms

  • (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol
  • Artenimol
  • NSC 758682
  • UNII-X0UIV26ABX

Systematic Name

  • (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3,-j)-1,2-benzodioxepin-10-ol

Registry Numbers

CAS Registry Number

  • 81496-81-3

FDA UNII

  • X0UIV26ABX

System Generated Number

  • 0081496813

Structure Descriptors

InChI

InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12-,13-,14-,15-/m1/s1

InChIKey

BJDCWCLMFKKGEE-KDTBHNEXSA-N

Smiles

C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.19 (none)   EXP
Water Solubility 660 mg/L 25 EST
Vapor Pressure 1.99E-07 mm Hg 25 EST
Henry's Law Constant 5.89E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.20E-11 cm3/molecule-sec 25 EST

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