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Substance Name: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-chlorophenyl)-1-piperazinyl)-7-methyl-,monohydrochloride
RN: 122113-34-2
InChIKey: QPYHNXOHUDITEC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-Cl-N5-O.Cl-H

Molecular Weight

  • 380.2771
 
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Names and Synonyms

  • 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(4-chlorophenyl)-1-piperazinyl)-7-methyl-,monohydrochloride

Registry Numbers

CAS Registry Number

  • 122113-34-2

System Generated Number

  • 0122113342

Molecular Formulas

Molecular Formula

  • C17-H18-Cl-N5-O.Cl-H

Molecular Formula Fragments

  • C17-H18-Cl-N5-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H18ClN5O.ClH/c1-21-15(24)10-12-11-19-17(20-16(12)21)23-8-6-22(7-9-23)14-4-2-13(18)3-5-14;/h2-5,11H,6-10H2,1H3;1H

InChIKey

QPYHNXOHUDITEC-UHFFFAOYSA-N

Smiles

CN1c2c(cnc(n2)N3CCN(CC3)c4ccc(cc4)Cl)CC1=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #5304555,