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Substance Name: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-ethyl-2-((2,4,6-trimethylphenyl)imino)-, hydrochloride, hydrate (2:2:1)
RN: 80023-97-8
InChIKey: PYEFWGTWVWQYFM-VQSOISJUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H29-N3-O3.Cl-H.1/2H2-O

Molecular Weight

  • 455.983
 
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Names and Synonyms

  • 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-ethyl-2-((2,4,6-trimethylphenyl)imino)-, hydrochloride, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 80023-97-8

System Generated Number

  • 0080023978

Molecular Formulas

Molecular Formula

  • C25-H29-N3-O3.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C25-H29-N3-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H29N3O3.ClH/c1-7-27-23(26-24-16(3)10-15(2)11-17(24)4)14-20-19-13-22(31-6)21(30-5)12-18(19)8-9-28(20)25(27)29;/h10-14H,7-9H2,1-6H3;1H/b26-23+;

InChIKey

PYEFWGTWVWQYFM-VQSOISJUSA-N

Smiles

CCn1/c(=N/c2c(cc(cc2C)C)C)/cc-3n(c1=O)CCc4c3cc(c(c4)OC)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 65mg/kg (65mg/kg)   Journal of Medicinal Chemistry. Vol. 27, Pg. 1470, 1984.