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Substance Name: Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-methyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester, monohydrate
RN: 104907-81-5
InChIKey: TZFZMYHFGCUVMC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-N4-O3.H2-O

Molecular Weight

  • 312.3274
 
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Names and Synonyms

Synonym

  • 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104907-81-5

System Generated Number

  • 0104907815

Molecular Formulas

Molecular Formula

  • C16-H16-N4-O3.H2-O

Molecular Formula Fragments

  • C16-H16-N4-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H16N4O3/c1-4-23-16(22)12-9-17-19(3)14(12)20-10(2)18-13-8-6-5-7-11(13)15(20)21/h5-9H,4H2,1-3H3

InChIKey

TZFZMYHFGCUVMC-UHFFFAOYSA-N

Smiles

CCOC(=O)c1cnn(c1n2c(nc3ccccc3c2=O)C)C

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.