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Substance Name: 4-Chlorodiazepam
RN: 14439-61-3
UNII: 2QW0IK1742
InChIKey: PUMYFTJOWAJIKF-UHFFFAOYSA-N

Note

  • Selectively binds peripheral benzodiazepine receptor.

Molecular Formula

  • C16-H12-Cl2-N2-O

Molecular Weight

  • 319.1898
 

Classification Codes

  • Antimetabolites
  • Central Nervous System Agents
  • Central Nervous System Stimulants
  • Convulsants
  • Hypolipidemic Agents
  • Lipid Regulating Agents
  • Mutation Data
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Names and Synonyms

Results Name

  • 4-Chlorodiazepam

Name of Substance

  • 4'-Chlorodiazepam
  • 4-Chlorodiazepam

Synonyms

  • 4'-Chlorodiazepam
  • 5-24-04-00337 (Beilstein Handbook Reference)
  • 7-Chloro-1,3-dihydro-1-methyl-5-(p-chlorophenyl)-2H-1,4-benzodiazepin-2-one
  • BRN 0685202
  • Chlorodiazepam
  • HSDB 6958
  • Ro 5-4864
  • UNII-2QW0IK1742

Systematic Names

  • 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1-methyl- (9CI)
  • 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(p-chlorophenyl)-1,3-dihydro-1-methyl-

Registry Numbers

CAS Registry Number

  • 14439-61-3

FDA UNII

  • 2QW0IK1742

System Generated Number

  • 0014439613

Structure Descriptors

InChI

1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3

InChIKey

PUMYFTJOWAJIKF-UHFFFAOYSA-N

Smiles

c12C(=NCC(=O)N(c1ccc(c2)Cl)C)c1ccc(cc1)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.340 (none)   EST
Water Solubility 13.2 mg/L 25 EST
Vapor Pressure 7.60E-09 mm Hg 25 EST
Henry's Law Constant 2.70E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.30E-12 cm3/molecule-sec 25 EST

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