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Substance Name: Demoxepam [USAN:INN]
RN: 963-39-3
UNII: 8X1XP5M0SB
InChIKey: GGRWZBVSUZZMKS-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Tranquilizer (Minor)

Molecular Formula

  • C15-H11-Cl-N2-O2

Molecular Weight

  • 286.7169
 
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Names and Synonyms

Name of Substance

  • Demoxepam
  • Demoxepam [USAN:INN]

Synonyms

  • 1,3-Dihydro-7-chloro-5-phenyl-2H-1,4-benzodiazepin-2-one 4-oxide
  • 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-, 4-oxide
  • 5-24-04-00295 (Beilstein Handbook Reference)
  • 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 4-oxide
  • 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one-4-oxide
  • BRN 0755892
  • Chlordiazepoxide lactam
  • Demossepam
  • Demossepam [DCIT]
  • Demoxepam
  • Demoxepamum
  • Demoxepamum [INN-Latin]
  • EINECS 213-515-2
  • NSC 169898
  • NSC 46077
  • NSC-46077
  • Ro 5-2092
  • UNII-8X1XP5M0SB

Systematic Names

  • 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-, 4-oxide
  • 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 4-oxide
  • Demoxepam

Registry Numbers

CAS Registry Number

  • 963-39-3

FDA UNII

  • 8X1XP5M0SB

System Generated Number

  • 0000963393

Structure Descriptors

InChI

1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8H,9H2,(H,17,19)

InChIKey

GGRWZBVSUZZMKS-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2=[N+](CC(=O)Nc3c2cc(cc3)Cl)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 290mg/kg (290mg/kg)   Current Therapeutic Research, Clinical & Experimental. Vol. 7, Pg. 590, 1965.
mouse LD50 oral 1950mg/kg (1950mg/kg)   "Benzodinzenines," Garattini, S., et al., New York, Raven Press, 1973Vol. -, Pg. 39, 1973.
mouse LD50 subcutaneous > 400mg/kg (400mg/kg)   Current Therapeutic Research, Clinical & Experimental. Vol. 7, Pg. 590, 1965.
rabbit LD50 oral 628mg/kg (628mg/kg)   Current Therapeutic Research, Clinical & Experimental. Vol. 7, Pg. 590, 1965.
rat LD50 oral > 4gm/kg (4000mg/kg)   Current Therapeutic Research, Clinical & Experimental. Vol. 7, Pg. 590, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.49 (none)   EXP
Water Solubility 783 mg/L 25 EST
Vapor Pressure 2.45E-13 mm Hg 25 EST
Henry's Law Constant 1.43E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.52E-11 cm3/molecule-sec 25 EST

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