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Substance Name: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-2-((2,6-difluorophenyl)imino)-9,10-dimethoxy-3,7-dimethyl-, monohydrochloride, (+-)-
RN: 108445-83-6
InChIKey: XXRZBBSQTJRJFR-UDLBSFQBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-F2-N3-O3.Cl-H

Molecular Weight

  • 449.8828
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 108445-83-6

System Generated Number

  • 0108445836

Molecular Formulas

Molecular Formula

  • C22-H21-F2-N3-O3.Cl-H

Molecular Formula Fragments

  • C22-H21-F2-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H21F2N3O3.ClH/c1-12-11-27-17(14-9-19(30-4)18(29-3)8-13(12)14)10-20(26(2)22(27)28)25-21-15(23)6-5-7-16(21)24;/h5-10,12H,11H2,1-4H3;1H/b25-20+;

InChIKey

XXRZBBSQTJRJFR-UDLBSFQBSA-N

Smiles

CC1Cn2c(c/c(=N\c3c(cccc3F)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 2500mg/kg (2500mg/kg)   Helvetica Chimica Acta. Vol. 69, Pg. 1671, 1986.