Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ketone, 6,7-dimethoxy-1-isoquinolyl 3,4-dimethoxyphenyl, O-(1-((2-morpholinoethyl)carbamoyl)methyl)oxime, dihydrochloride
RN: 54022-68-3
InChIKey: POKIXMUTMSQCFD-OISMXEOCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H34-N4-O7.2Cl-H

Molecular Weight

  • 611.519
 
* 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

  • Papaveraldine O-(1-((2-morpholinoethyl)carbamoyl)methyl)oxime dihydrochloride

Systematic Name

  • Ketone, 6,7-dimethoxy-1-isoquinolyl 3,4-dimethoxyphenyl, O-(1-((2-morpholinoethyl)carbamoyl)methyl)oxime, dihydrochloride

Registry Numbers

CAS Registry Number

  • 54022-68-3

System Generated Number

  • 0054022683

Molecular Formulas

Molecular Formula

  • C28-H34-N4-O7.2Cl-H

Molecular Formula Fragments

  • C28-H34-N4-O7
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H34N4O7.2ClH/c1-34-22-6-5-20(16-23(22)35-2)27(31-39-18-26(33)29-9-10-32-11-13-38-14-12-32)28-21-17-25(37-4)24(36-3)15-19(21)7-8-30-28;;/h5-8,15-17H,9-14,18H2,1-4H3,(H,29,33);2*1H/b31-27+;;

InChIKey

POKIXMUTMSQCFD-OISMXEOCSA-N

Smiles

c1(c2c(cc(OC)c(c2)OC)cc[n+]1)\C(c1cc(c(OC)cc1)OC)=N\OCC(NCC[NH+]1CCOCC1)=O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 571, 1974.