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Substance Name: 2,3-(4H)-Benzodiazepin-4-one, 3,5-dihydro-1-phenyl-3-(2-pyrrolidinylethyl)-, maleate
RN: 59749-71-2
InChIKey: WRKNRUKKMIEOGY-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N3-O.C4-H4-O4

Molecular Weight

  • 449.504
 
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Names and Synonyms

Synonym

  • 3,5-Dihydro-1-phenyl-3-(2-pyrrolidinylethyl)-2,3-(4H)-benzodiazepin-4-one maleate

Systematic Name

  • 2,3-(4H)-Benzodiazepin-4-one, 3,5-dihydro-1-phenyl-3-(2-pyrrolidinylethyl)-, maleate

Registry Numbers

CAS Registry Number

  • 59749-71-2

System Generated Number

  • 0059749712

Molecular Formulas

Molecular Formula

  • C21-H23-N3-O.C4-H4-O4

Molecular Formula Fragments

  • C21-H23-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23N3O.C4H4O4/c25-20-16-18-10-4-5-11-19(18)21(17-8-2-1-3-9-17)22-24(20)15-14-23-12-6-7-13-23;5-3(6)1-2-4(7)8/h1-5,8-11H,6-7,12-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

WRKNRUKKMIEOGY-BTJKTKAUSA-N

Smiles

C=1(c2c(CC(N(CC[NH+]3CCCC3)N1)=O)cccc2)c1ccccc1.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 83, 1976.