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Substance Name: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3-fluorophenyl)imino)-, monohydrochloride, (+-)
RN: 108445-80-3
InChIKey: XQILWWWPQKWHOE-BBCFSJFZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-F-N3-O3.Cl-H

Molecular Weight

  • 431.8927
 
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Names and Synonyms

  • 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((3-fluorophenyl)imino)-, monohydrochloride, (+-)

Registry Numbers

CAS Registry Number

  • 108445-80-3

System Generated Number

  • 0108445803

Molecular Formulas

Molecular Formula

  • C22-H22-F-N3-O3.Cl-H

Molecular Formula Fragments

  • C22-H22-F-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H22FN3O3.ClH/c1-13-12-26-18(17-10-20(29-4)19(28-3)9-16(13)17)11-21(25(2)22(26)27)24-15-7-5-6-14(23)8-15;/h5-11,13H,12H2,1-4H3;1H/b24-21+;

InChIKey

XQILWWWPQKWHOE-BBCFSJFZSA-N

Smiles

CC1Cn2c(c/c(=N\c3cccc(c3)F)/n(c2=O)C)-c4c1cc(c(c4)OC)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 5gm/kg (5000mg/kg)   Helvetica Chimica Acta. Vol. 69, Pg. 1671, 1986.