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Substance Name: 4(3H)-Quinazolinone, 3-(4-chlorophenyl)-2-((1-((2-oxo-1-pyrrolidinyl)methyl)-2-(1-piperidinyl)ethyl)thio)-, monohydrochloride
RN: 117063-96-4
InChIKey: VGJRMKATYIPVJJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H29-Cl-N4-O2-S.Cl-H

Molecular Weight

  • 533.521
 
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Names and Synonyms

  • 4(3H)-Quinazolinone, 3-(4-chlorophenyl)-2-((1-((2-oxo-1-pyrrolidinyl)methyl)-2-(1-piperidinyl)ethyl)thio)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 117063-96-4

System Generated Number

  • 0117063964

Molecular Formulas

Molecular Formula

  • C26-H29-Cl-N4-O2-S.Cl-H

Molecular Formula Fragments

  • C26-H29-Cl-N4-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H29ClN4O2S.ClH/c27-19-10-12-20(13-11-19)31-25(33)22-7-2-3-8-23(22)28-26(31)34-21(17-29-14-4-1-5-15-29)18-30-16-6-9-24(30)32;/h2-3,7-8,10-13,21H,1,4-6,9,14-18H2;1H

InChIKey

VGJRMKATYIPVJJ-UHFFFAOYSA-N

Smiles

c1cc2nc(n(c(=O)c2cc1)c1ccc(Cl)cc1)S[C@@H](CN1CCCCC1)CN1CCCC1=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 160mg/kg (160mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 563, 1988.
mouse LD50 oral 107mg/kg (107mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 563, 1988.