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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-(4-methoxyphenyl)-, monohydrochloride
RN: 117039-06-2
InChIKey: UCWQQQVBLHUPFN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H34-N4-O2-S.Cl-H

Molecular Weight

  • 543.128
 
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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-(4-methoxyphenyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 117039-06-2

System Generated Number

  • 0117039062

Molecular Formulas

Molecular Formula

  • C28-H34-N4-O2-S.Cl-H

Molecular Formula Fragments

  • C28-H34-N4-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H34N4O3S.ClH/c1-35-22-14-12-21(13-15-22)32-27(34)24-9-4-5-10-25(24)29-28(32)36-23(20-31-18-8-11-26(31)33)19-30-16-6-2-3-7-17-30;/h4-5,9-10,12-15,23H,2-3,6-8,11,16-20H2,1H3;1H

InChIKey

UCWQQQVBLHUPFN-UHFFFAOYSA-N

Smiles

c1cc2nc(n(c(=O)c2cc1)c1ccc(OC)cc1)S[C@@H](CN1CCCCCC1)CN1CCCC1=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 229mg/kg (229mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Pharmaceutical Chemistry Journal Vol. 22, Pg. 563, 1988.
mouse LDLo oral 527mg/kg (527mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Pharmaceutical Chemistry Journal Vol. 22, Pg. 563, 1988.