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Substance Name: Isoquinoline, 3,4-dihydro-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, hydrate (5:3)
RN: 83658-10-0
InChIKey: SXZITRGKMWZNAX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N3.3/5H2-O

Molecular Weight

  • 319.4495
 
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Names and Synonyms

Synonym

  • 3-((4-Methyl-1-piperazinyl)methyl)-1-phenylisoquinoline hydrate (5:3)

Systematic Name

  • Isoquinoline, 3,4-dihydro-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, hydrate (5:3)

Registry Numbers

CAS Registry Number

  • 83658-10-0

System Generated Number

  • 0083658100

Molecular Formulas

Molecular Formula

  • C21-H25-N3.3/5H2-O

Molecular Formula Fragments

  • C21-H25-N3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H25N3/c1-23-11-13-24(14-12-23)16-19-15-18-9-5-6-10-20(18)21(22-19)17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3

InChIKey

SXZITRGKMWZNAX-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)CC2Cc3ccccc3C(=N2)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg)   United States Patent Document. Vol. #4386090,