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Substance Name: 4(3H)-Quinazolinone, 2-((1-((hexahydro-1H-azepin-1-yl)methyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-3-phenyl-, monohydrochloride
RN: 117039-05-1
InChIKey: VXMADGMIEPZPJJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H32-N4-O2-S.Cl-H

Molecular Weight

  • 513.103
 
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Names and Synonyms

  • 4(3H)-Quinazolinone, 2-((1-((hexahydro-1H-azepin-1-yl)methyl)-2-(2-oxo-1-pyrrolidinyl)ethyl)thio)-3-phenyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 117039-05-1

System Generated Number

  • 0117039051

Molecular Formulas

Molecular Formula

  • C27-H32-N4-O2-S.Cl-H

Molecular Formula Fragments

  • C27-H32-N4-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H32N4O2S.ClH/c32-25-15-10-18-30(25)20-22(19-29-16-8-1-2-9-17-29)34-27-28-24-14-7-6-13-23(24)26(33)31(27)21-11-4-3-5-12-21;/h3-7,11-14,22H,1-2,8-10,15-20H2;1H

InChIKey

VXMADGMIEPZPJJ-UHFFFAOYSA-N

Smiles

c1cc2nc(n(c(=O)c2cc1)c1ccccc1)S[C@@H](CN1CCCCCC1)CN1CCCC1=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 225mg/kg (225mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Pharmaceutical Chemistry Journal Vol. 22, Pg. 563, 1988.