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Substance Name: 2-Oxoquazepam
RN: 49606-44-2
UNII: 8T62S796K7
InChIKey: YFSXBSRGIRSXAD-UHFFFAOYSA-N

Note

  • Quazepam metabolite.

Molecular Formula

  • C17-H11-Cl-F4-N2-O

Molecular Weight

  • 370.7319
 
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Names and Synonyms

Name of Substance

  • 2-Oxoquazepam

Synonyms

  • EINECS 256-396-2
  • UNII-8T62S796K7

Systematic Name

  • 7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepin-2-one

Registry Numbers

CAS Registry Number

  • 49606-44-2

FDA UNII

  • 8T62S796K7

System Generated Number

  • 0049606442

Structure Descriptors

InChI

InChI=1S/C17H11ClF4N2O/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2

InChIKey

YFSXBSRGIRSXAD-UHFFFAOYSA-N

Smiles

Fc1ccccc1C2=NCC(=O)N(CC(F)(F)F)c3ccc(Cl)cc23

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.36 (none)   EXP
Water Solubility 6.260 mg/L 25 EST
Vapor Pressure 2.64E-08 mm Hg 25 EST
Henry's Law Constant 4.45E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.25E-12 cm3/molecule-sec 25 EST

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