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Substance Name: Benzeneacetic acid, alpha-methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)-
RN: 70672-55-8
InChIKey: JEAXVIPOHYZVQA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N3-O2

Molecular Weight

  • 307.3513
 
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Names and Synonyms

Synonyms

  • 5-26-02-00151 (Beilstein Handbook Reference)
  • alpha-Methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)benzeneacetate
  • BRN 0558987

Systematic Name

  • Benzeneacetic acid, alpha-methyl-4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)-

Registry Numbers

CAS Registry Number

  • 70672-55-8

System Generated Number

  • 0070672558

Structure Descriptors

InChI

1S/C18H17N3O2/c1-12(18(22)23)14-8-10-16(11-9-14)21-13(2)17(19-20-21)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23)

InChIKey

JEAXVIPOHYZVQA-UHFFFAOYSA-N

Smiles

Cc1c(nnn1c2ccc(cc2)C(C)C(=O)O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 371, 1979.