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Substance Name: 5-Pyrimidinecarboxamide, N-((1-benzyl-2-pyrrolidinyl)methyl)-4-methoxy-, dihydrochloride, hydrate
RN: 84332-27-4
InChIKey: VWPOKSFUQAGUNF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-N4-O2.2Cl-H.H2-O

Molecular Weight

  • 399.3196
 
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Names and Synonyms

  • 5-Pyrimidinecarboxamide, N-((1-benzyl-2-pyrrolidinyl)methyl)-4-methoxy-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 84332-27-4

System Generated Number

  • 0084332274

Molecular Formulas

Molecular Formula

  • C18-H22-N4-O2.2Cl-H.H2-O

Molecular Formula Fragments

  • C18-H22-N4-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H22N4O2.2ClH/c1-24-18-16(11-19-13-21-18)17(23)20-10-15-8-5-9-22(15)12-14-6-3-2-4-7-14;;/h2-4,6-7,11,13,15H,5,8-10,12H2,1H3,(H,20,23);2*1H

InChIKey

VWPOKSFUQAGUNF-UHFFFAOYSA-N

Smiles

COc1c(cncn1)C(=O)NCC2CCCN2Cc3ccccc3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 260mg/kg (260mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 437, 1982.