Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)propyl)-6,7-dimethoxy-1-methyl-, fumarate
RN: 2004-31-1
InChIKey: NGTMTVMSVSOLBW-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-Cl-N-O2.C4-H4-O4

Molecular Weight

  • 475.966
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 2004-31-1

System Generated Number

  • 0002004311

Molecular Formulas

Molecular Formula

  • C21-H26-Cl-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C21-H26-Cl-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26ClNO2.C4H4O4/c1-15-19-14-21(25-3)20(24-2)13-17(19)10-12-23(15)11-4-5-16-6-8-18(22)9-7-16;5-3(6)1-2-4(7)8/h6-9,13-15H,4-5,10-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

NGTMTVMSVSOLBW-WLHGVMLRSA-N

Smiles

c12c(cc(OC)c(c2)OC)CC[N@@H+]([C@@H]1C)CCCc1ccc(Cl)cc1.C(=C\C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 560mg/kg (560mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 1145, 1967.