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Substance Name: Pyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, 3,4,9,10-tetrahydro-10-(3,4-dimethoxyphenyl)-, dihydrate
RN: 137987-38-3
InChIKey: IMUSWTWNXRSNCJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-N3-O3.2H2-O

Molecular Weight

  • 337.3771
 
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Names and Synonyms

Synonym

  • 10-(3,4-Dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-, dihydrate

Registry Numbers

CAS Registry Number

  • 137987-38-3

System Generated Number

  • 0137987383

Molecular Formulas

Molecular Formula

  • C19-H19-N3-O3.2H2-O

Molecular Formula Fragments

  • C19-H19-N3-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H19N3O3/c1-24-15-8-7-11(9-16(15)25-2)18-17-14(10-20-19(17)23)21-12-5-3-4-6-13(12)22-18/h3-9,18,21-22H,10H2,1-2H3,(H,20,23)

InChIKey

IMUSWTWNXRSNCJ-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)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.