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Substance Name: Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-, methyl ester
RN: 135445-93-1
InChIKey: SNUAZYOYFIAUDS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-N6-O3

Molecular Weight

  • 366.3792
 
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Names and Synonyms

  • Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 135445-93-1

System Generated Number

  • 0135445931

Structure Descriptors

InChI

1S/C18H18N6O3/c1-4-9-23-15-13(22(2)10-19-15)16-21-20-14(24(16)18(23)26)11-5-7-12(8-6-11)17(25)27-3/h5-8,10H,4,9H2,1-3H3

InChIKey

SNUAZYOYFIAUDS-UHFFFAOYSA-N

Smiles

CCCn1c2c(c3nnc(n3c1=O)c4ccc(cc4)C(=O)OC)n(cn2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5173492,