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Substance Name: Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-phenethyl-, hydrogen oxalate
RN: 63937-82-6
InChIKey: CXMMLPJDUMSKBJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H30-Cl-N-O2.C2-H2-O4

Molecular Weight

  • 526.026
 
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Names and Synonyms

Synonym

  • 1-(4-Chlorophenethyl)-6,7-dimethoxy-2-phenethyl-1,2,3,4-tetrahydroisoquinoline oxalate

Systematic Name

  • Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2-phenethyl-, hydrogen oxalate

Registry Numbers

CAS Registry Number

  • 63937-82-6

System Generated Number

  • 0063937826

Molecular Formulas

Molecular Formula

  • C27-H30-Cl-N-O2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C27-H30-Cl-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C27H30ClNO2.C2H2O4/c1-30-26-18-22-15-17-29(16-14-20-6-4-3-5-7-20)25(24(22)19-27(26)31-2)13-10-21-8-11-23(28)12-9-21;3-1(4)2(5)6/h3-9,11-12,18-19,25H,10,13-17H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

CXMMLPJDUMSKBJ-UHFFFAOYSA-N

Smiles

c12[C@@H]([N@@H+](CCc1cc(OC)c(OC)c2)CCc1ccccc1)CCc1ccc(Cl)cc1.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   Medicinal Chemistry: A Series of Monographs. Vol. 5, Pg. 293, 1965.