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Substance Name: 4H-Pyrido(1,2-a)pyrimidine-3-acetic acid, 9-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)-4-oxo-
RN: 112668-63-0
InChIKey: AHEKJZJJBQLTDU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-N2-O6

Molecular Weight

  • 410.4238
 
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Names and Synonyms

Synonym

  • (9-(4-Acetyl-3-hydroxy-2-n-propylphenoxymethyl)-4-oxo-pyrido(1,2-a)pyrimidin-3-yl)acetic acid

Systematic Name

  • 4H-Pyrido(1,2-a)pyrimidine-3-acetic acid, 9-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)-4-oxo-

Registry Numbers

CAS Registry Number

  • 112668-63-0

System Generated Number

  • 0112668630

Structure Descriptors

InChI

1S/C22H22N2O6/c1-3-5-17-18(8-7-16(13(2)25)20(17)28)30-12-14-6-4-9-24-21(14)23-11-15(22(24)29)10-19(26)27/h4,6-9,11,28H,3,5,10,12H2,1-2H3,(H,26,27)

InChIKey

AHEKJZJJBQLTDU-UHFFFAOYSA-N

Smiles

CCCc1c(ccc(c1O)C(=O)C)OCc2cccn3c2ncc(c3=O)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4798832,
mouse LD50 oral 4gm/kg (4000mg/kg)   United States Patent Document. Vol. #4798832,
rat LD50 intravenous 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4798832,
rat LD50 oral 4gm/kg (4000mg/kg)   United States Patent Document. Vol. #4798832,