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Substance Name: 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate
RN: 46410-78-0
InChIKey: AIEMPFXRFGFAQC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-N2.H2-O

Molecular Weight

  • 216.282
 
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Names and Synonyms

Synonym

  • 1,2,3,4-Tetrahydro-5H-dibenzo(b,e)(1,4)diazepine hydrate

Systematic Name

  • 5H-Dibenzo(b,e)(1,4)diazepine, 1,2,3,4-tetrahydro-, hydrate

Registry Numbers

CAS Registry Number

  • 46410-78-0

System Generated Number

  • 0046410780

Molecular Formulas

Molecular Formula

  • C13-H13-N2.H2-O

Molecular Formula Fragments

  • C13-H13-N2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C13H14N2.H2O/c1-2-6-11-10(5-1)9-14-12-7-3-4-8-13(12)15-11;/h3-4,7-9,15H,1-2,5-6H2;1H2

InChIKey

AIEMPFXRFGFAQC-UHFFFAOYSA-N

Smiles

C12=C(C=Nc3c(N1)cccc3)CCCC2.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 562mg/kg (562mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 153, 1971.