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Substance Name: 1H-Pyrazole-4-carboxylic acid, 1-(3-methylphenyl)-5-(methylsulfonyl)-, ethyl ester
RN: 117378-04-8
InChIKey: BNNQDLLALJEUMD-UHFFFAOYSA-N

Molecular Formula

  • C14-H16-N2-O4-S

Molecular Weight

  • 308.356
 
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Names and Synonyms

Synonym

  • Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate

Systematic Name

  • 1H-Pyrazole-4-carboxylic acid, 1-(3-methylphenyl)-5-(methylsulfonyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 117378-04-8

System Generated Number

  • 0117378048

Structure Descriptors

InChI

1S/C14H16N2O4S/c1-4-20-14(17)12-9-15-16(13(12)21(3,18)19)11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3

InChIKey

BNNQDLLALJEUMD-UHFFFAOYSA-N

Smiles

n1(ncc(c1S(=O)(=O)C)C(=O)OCC)c1cc(ccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 500mg/kg (500mg/kg) BEHAVIORAL: MUSCLE WEAKNESS National Technical Information Service. Vol. OTS0544046,