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Substance Name: Acetamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-N-((4-methyl-3-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)methyl)-, hemihydrate
RN: 74101-74-9
InChIKey: HHUYYXXBPZAWHR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H31-N3-O3-04.1/2H2-O

Molecular Weight

  • 485.5809
 
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Names and Synonyms

  • Acetamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-N-((4-methyl-3-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)methyl)-, hemihydrate

Registry Numbers

CAS Registry Number

  • 74101-74-9

System Generated Number

  • 0074101749

Molecular Formulas

Molecular Formula

  • C29-H31-N3-O3-04.1/2H2-O

Molecular Formula Fragments

  • C29-H31-N3-O3-04
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C29H31N3O4/c1-19-10-11-23(16-26(19)32-20(2)30-25-9-7-6-8-24(25)29(32)34)18-31(21(3)33)15-14-22-12-13-27(35-4)28(17-22)36-5/h6-13,16-17H,14-15,18H2,1-5H3

InChIKey

HHUYYXXBPZAWHR-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1n2c(nc3ccccc3c2=O)C)CN(CCc4ccc(c(c4)OC)OC)C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 18, Pg. 443, 1979.