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Substance Name: 4H-Pyrimido(1,2-b)isoquinoline-3-carboxylic acid, 7,8,9,10-tetrahydro-11-cyano-4-oxo-, ethyl ester
RN: 88745-34-0
InChIKey: KDKDODMKYKSVHN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-N3-O3

Molecular Weight

  • 297.3125
 
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Names and Synonyms

Synonym

  • BRN 4536806

Systematic Name

  • 4H-Pyrimido(1,2-b)isoquinoline-3-carboxylic acid, 7,8,9,10-tetrahydro-11-cyano-4-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 88745-34-0

System Generated Number

  • 0088745340

Structure Descriptors

InChI

1S/C16H15N3O3/c1-2-22-16(21)13-8-18-14-12(7-17)11-6-4-3-5-10(11)9-19(14)15(13)20/h8-9H,2-6H2,1H3

InChIKey

KDKDODMKYKSVHN-UHFFFAOYSA-N

Smiles

n12c(c(c3c(c2)CCCC3)C#N)ncc(c1=O)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 540, 1984.