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Substance Name: Isoquinoline, 1,2,3,4-tetrahydro-2-(p-chlorobenzyl)-6,7-dimethoxy-1-methyl-, fumarate
RN: 2004-29-7
InChIKey: IGKDKUGFMSEDRC-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-Cl-N-O2.C4-H4-O4

Molecular Weight

  • 447.912
 
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Names and Synonyms

Synonym

  • 2-(p-Chlorobenzyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline fumarate

Systematic Names

  • Isoquinoline, 1,2,3,4-tetrahydro-2-(p-chlorobenzyl)-6,7-dimethoxy-1-methyl-, fumarate
  • Isoquinoline, 2-((4-chlorophenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-, (2E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 2004-29-7

System Generated Number

  • 0002004297

Molecular Formulas

Molecular Formula

  • C19-H22-Cl-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C19-H22-Cl-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22ClNO2.C4H4O4/c1-13-17-11-19(23-3)18(22-2)10-15(17)8-9-21(13)12-14-4-6-16(20)7-5-14;5-3(6)1-2-4(7)8/h4-7,10-11,13H,8-9,12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

IGKDKUGFMSEDRC-WLHGVMLRSA-N

Smiles

c12c(cc(OC)c(c2)OC)CC[N@@H+]([C@@H]1C)Cc1ccc(Cl)cc1.C(=C\C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 94mg/kg (94mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 1145, 1967.
mouse LD50 oral 940mg/kg (940mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 1145, 1967.