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Substance Name: Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(4-methoxyphenyl)-, hemihydrate
RN: 137987-37-2
InChIKey: DHTAOKLCLVWLJI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N3-O2.1/2H2-O

Molecular Weight

  • 307.3513
 
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Names and Synonyms

Synonym

  • 10-(4-Methoxyphenyl)-3,4,9,10-tetrahydropyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 137987-37-2

System Generated Number

  • 0137987372

Molecular Formulas

Molecular Formula

  • C18-H17-N3-O2.1/2H2-O

Molecular Formula Fragments

  • C18-H17-N3-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H17N3O2/c1-23-12-8-6-11(7-9-12)17-16-15(10-19-18(16)22)20-13-4-2-3-5-14(13)21-17/h2-9,17,20-21H,10H2,1H3,(H,19,22)

InChIKey

DHTAOKLCLVWLJI-UHFFFAOYSA-N

Smiles

COc1ccc(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.