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Substance Name: Ketone, 6,7-dimethoxy-1-isoquinolyl 3,4-dimethoxyphenyl, O-(1-((2-morpholinoethyl)carbamoyl)ethyl)oxime, dihydrochloride
RN: 54022-72-9
InChIKey: BWNVEGBYTQUWJJ-RTFAEJQKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H36-N4-O7.2Cl-H

Molecular Weight

  • 625.546
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 54022-72-9

System Generated Number

  • 0054022729

Molecular Formulas

Molecular Formula

  • C29-H36-N4-O7.2Cl-H

Molecular Formula Fragments

  • C29-H36-N4-O7
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H36N4O7.2ClH/c1-35-23-6-5-21(18-24(23)36-2)28(29-22-19-26(38-4)25(37-3)17-20(22)7-9-31-29)32-40-14-8-27(34)30-10-11-33-12-15-39-16-13-33;;/h5-7,9,17-19H,8,10-16H2,1-4H3,(H,30,34);2*1H/b32-28+;;

InChIKey

BWNVEGBYTQUWJJ-RTFAEJQKSA-N

Smiles

c12c(\C(c3cc(c(OC)cc3)OC)=N\OCCC(NCC[NH+]3CCOCC3)=O)[n+]ccc1cc(OC)c(c2)OC.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 571, 1974.