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Substance Name: Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-phenyl-, ethyl ester
RN: 104907-91-7
InChIKey: JMMKMNYAOKFWBF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H20-N4-O3

Molecular Weight

  • 388.425
 
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Names and Synonyms

Synonyms

  • 5-(3,4-Dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid ethyl ester
  • BRN 5459667

Systematic Name

  • Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-phenyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 104907-91-7

System Generated Number

  • 0104907917

Structure Descriptors

InChI

1S/C22H20N4O3/c1-3-19-24-18-13-9-8-12-16(18)21(27)25(19)20-17(22(28)29-4-2)14-23-26(20)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3

InChIKey

JMMKMNYAOKFWBF-UHFFFAOYSA-N

Smiles

CCc1nc2ccccc2c(=O)n1c3c(cnn3c4ccccc4)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 21, Pg. 291, 1986.
mouse LD50 oral 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 21, Pg. 291, 1986.