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Substance Name: N-Demethylchlordiazepoxide
RN: 7722-15-8
UNII: F7P2N4H0H2
InChIKey: LNLMGKOHYYEWMY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-Cl-N3-O.Cl-H

Molecular Weight

  • 285.7328
 
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Names and Synonyms

Name of Substance

  • N-Demethylchlordiazepoxide

Synonyms

  • N-desmethylchlordiazepoxide
  • Ro 5-0883
  • UNII-F7P2N4H0H2

Systematic Name

  • 3H-1,4-Benzodiazepin-2-amine, 7-chloro-5-phenyl-, 4-oxide, hydrochloride

Registry Numbers

CAS Registry Number

  • 7722-15-8

FDA UNII

  • F7P2N4H0H2

System Generated Number

  • 0007722158

Molecular Formulas

Molecular Formula

  • C15-H14-Cl-N3-O.Cl-H

Molecular Formula Fragments

  • C15-H14-Cl-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C15H12ClN3O/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19(20)9-14(17)18-13/h1-8H,9H2,(H2,17,18)

InChIKey

LNLMGKOHYYEWMY-UHFFFAOYSA-N

Smiles

NC1=Nc2ccc(Cl)cc2C(=[N+]([O-])C1)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2150mg/kg (2150mg/kg)   "Benzodinzenines," Garattini, S., et al., New York, Raven Press, 1973Vol. -, Pg. 39, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.13 (none)   EXP
Water Solubility 2300 mg/L 25 EST
Vapor Pressure 1.23E-11 mm Hg 25 EST
Henry's Law Constant 1.93E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.93E-11 cm3/molecule-sec 25 EST

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