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Substance Name: Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-5-(3,4,5-trimethoxyphenyl)-
RN: 159850-77-8
InChIKey: VNNGJIVPZDSRKH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H17-N3-O6

Molecular Weight

  • 407.3803
 
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Names and Synonyms

Synonyms

  • 3-Benzoyl-5-(3,4,5-trimethoxyphenyl)-6,7-dihydroisoxazolo(4,3-d)pyrimidin-7(6H)-one
  • 3-Benzoyl-5-(3,4,5-trimethoxyphenyl)isoxazolo(4,3-d)pyrimidin-7(6H)-one

Systematic Name

  • Isoxazolo(4,3-d)pyrimidin-7(6H)-one, 3-benzoyl-5-(3,4,5-trimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 159850-77-8

System Generated Number

  • 0159850778

Structure Descriptors

InChI

1S/C21H17N3O6/c1-27-13-9-12(10-14(28-2)18(13)29-3)20-22-15-16(21(26)23-20)24-30-19(15)17(25)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,22,23,26)

InChIKey

VNNGJIVPZDSRKH-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)c2[nH]c3c(c(=O)n2)noc3C(=O)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   Farmaco. Vol. 49, Pg. 529, 1994.