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Substance Name: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-((2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate (1:1:2)
RN: 76536-65-7
InChIKey: VWZXHRZRQGKGIN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H25-N3-O3.Cl-H.2H2-O

Molecular Weight

  • 427.9294
 
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Names and Synonyms

  • 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-((2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate (1:1:2)

Registry Numbers

CAS Registry Number

  • 76536-65-7

System Generated Number

  • 0076536657

Molecular Formulas

Molecular Formula

  • C23-H25-N3-O3.Cl-H.2H2-O

Molecular Formula Fragments

  • C23-H25-N3-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H25N3O3.ClH/c1-13-8-14(2)22(15(3)9-13)24-21-12-18-17-11-20(29-5)19(28-4)10-16(17)6-7-26(18)23(27)25-21;/h8-12H,6-7H2,1-5H3,(H,24,25,27);1H

InChIKey

VWZXHRZRQGKGIN-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(c1)C)Nc2cc-3n(c(=O)n2)CCc4c3cc(c(c4)OC)OC)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 82500ug/kg (82.5mg/kg)   Journal of Medicinal Chemistry. Vol. 27, Pg. 1470, 1984.