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Substance Name: Ipconazole [ISO]
RN: 125225-28-7
UNII: FC61260G4Q
InChIKey: QTYCMDBMOLSEAM-UHFFFAOYSA-N

Molecular Formula

  • C18-H24-Cl-N3-O

Molecular Weight

  • 333.861
 
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Names and Synonyms

Name of Substance

  • Ipconazole [ISO]

Synonyms

  • Ipconazole
  • UNII-FC61260G4Q

Systematic Names

  • 2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)cyclopentanol
  • Cyclopentanol, 2-((4-chlorophenyl)methyl)-5-(1-methylethyl)-1-(1H-1,2,4-triazol-1-ylmethyl)-

Registry Numbers

CAS Registry Number

  • 125225-28-7

FDA UNII

  • FC61260G4Q

System Generated Number

  • 0125225287

Structure Descriptors

InChI

1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3

InChIKey

QTYCMDBMOLSEAM-UHFFFAOYSA-N

Smiles

c1cc(Cl)ccc1C[C@@H]1CC[C@@H](C(C)C)[C@@]1(O)Cn1ncnc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 89 deg C   EXP
log P (octanol-water) 4.21 (none)   EXP
Water Solubility 6.93 mg/L 20 EXP
Vapor Pressure 3.96E-08 mm Hg 25 EXP
Henry's Law Constant 2.51E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.54E-11 cm3/molecule-sec 25 EST

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