Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(ethyl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1)
RN: 76536-69-1
InChIKey: SXYJSLIWXBRHJT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H29-N3-O3.1/2H2-O

Molecular Weight

  • 419.5221
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 76536-69-1

System Generated Number

  • 0076536691

Molecular Formulas

Molecular Formula

  • C25-H29-N3-O3.1/2H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

SXYJSLIWXBRHJT-UHFFFAOYSA-N

Smiles

CCN(c1cc-2n(c(=O)n1)CCc3c2cc(c(c3)OC)OC)c4c(cc(cc4C)C)C

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.