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Substance Name: Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-phenyl-, hydrate
RN: 137987-36-1
InChIKey: JMIDETFMZFEBIU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-N3-O.H2-O

Molecular Weight

  • 277.3255
 
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Names and Synonyms

Synonym

  • 3,4,9,10-Tetrahydro-10-phenylpyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one hydrate

Systematic Name

  • Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-phenyl-, hydrate

Registry Numbers

CAS Registry Number

  • 137987-36-1

System Generated Number

  • 0137987361

Molecular Formulas

Molecular Formula

  • C17-H15-N3-O.H2-O

Molecular Formula Fragments

  • C17-H15-N3-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H15N3O/c21-17-15-14(10-18-17)19-12-8-4-5-9-13(12)20-16(15)11-6-2-1-3-7-11/h1-9,16,19-20H,10H2,(H,18,21)

InChIKey

JMIDETFMZFEBIU-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2C3=C(CNC3=O)Nc4ccccc4N2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 768, 1991.