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Substance Name: Isoquinoline, 1,2,3,4-tetrahydro-6-chloro-2,3-dimethyl-4-phenyl-, hydrochloride, (E)-
RN: 41958-58-1
InChIKey: ZSKVJELBWINZHA-HSQRQWGBSA-N

Molecular Formula

  • C17-H18-Cl-N.Cl-H

Molecular Weight

  • 308.25
 
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Names and Synonyms

Synonyms

  • Isoquinoline, 6-chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydro-, hydrochloride, (E)-
  • trans-6-Chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Systematic Name

  • Isoquinoline, 1,2,3,4-tetrahydro-6-chloro-2,3-dimethyl-4-phenyl-, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 41958-58-1

System Generated Number

  • 0041958581

Molecular Formulas

Molecular Formula

  • C17-H18-Cl-N.Cl-H

Molecular Formula Fragments

  • C17-H18-Cl-N
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H18ClN.ClH/c1-12-17(13-6-4-3-5-7-13)16-10-15(18)9-8-14(16)11-19(12)2;/h3-10,12,17H,11H2,1-2H3;1H/t12-,17?;/m0./s1

InChIKey

ZSKVJELBWINZHA-HSQRQWGBSA-N

Smiles

c12[C@@H](c3ccccc3)[C@@H]([N@@H+](C)Cc1ccc(c2)Cl)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 147mg/kg (147mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 342, 1973.