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Substance Name: Isomazole [INN]
RN: 86315-52-8
UNII: L8O2GV23DC
InChIKey: JQUKCPUPFALELS-UHFFFAOYSA-N

Note

  • Closely related to sulmazole.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-N3-O2-S

Molecular Weight

  • 287.342
 
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Names and Synonyms

Results Name

  • Isomazole [INN]

Name of Substance

  • 2-(2-Methoxy-4-(methylsulfinyl)phenyl)-1H-imidazo(4,5-c)pyridine
  • Isomazole [INN]

Synonyms

  • 2-(2-Methoxy-4-(methylsulfinyl)phenyl)-1H-imidazo(4,5-c)pyridine
  • Isomazol
  • Isomazol [Spanish]
  • Isomazole
  • Isomazolum
  • Isomazolum [Latin]
  • Isosulmazole
  • UNII-L8O2GV23DC

Systematic Name

  • 1H-Imidazo(4,5-c)pyridine, 2-(2-methoxy-4-(methylsulfinyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 86315-52-8

FDA UNII

  • L8O2GV23DC

Related Registry Number

  • 87359-33-9 (hydrochloride)

System Generated Number

  • 0086315528

Structure Descriptors

InChI

1S/C14H13N3O2S/c1-19-13-7-9(20(2)18)3-4-10(13)14-16-11-5-6-15-8-12(11)17-14/h3-8H,1-2H3,(H,16,17)

InChIKey

JQUKCPUPFALELS-UHFFFAOYSA-N

Smiles

c1(c2[nH]c3ccncc3n2)c(cc([S@@](C)=O)cc1)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.25 (none)   EXP
Water Solubility 1250 mg/L 25 EST
Vapor Pressure 9.87E-12 mm Hg 25 EST
Henry's Law Constant 4.01E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.28E-10 cm3/molecule-sec 25 EST

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