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Substance Name: Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester
RN: 139297-36-2
InChIKey: BKORYSMNTUFAAN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-N2-O4

Molecular Weight

  • 330.3818
 
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Names and Synonyms

Synonyms

  • 5-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-3-(hydroxymethyl)-, neopentanoate
  • BRN 5829028

Systematic Name

  • Propanoic acid, 2,2-dimethyl-, (3-(((2,6-dimethylphenyl)amino)carbonyl)-5-isoxazolyl)methyl ester

Registry Numbers

CAS Registry Number

  • 139297-36-2

System Generated Number

  • 0139297362

Structure Descriptors

InChI

1S/C18H22N2O4/c1-11-7-6-8-12(2)15(11)19-16(21)14-9-13(24-20-14)10-23-17(22)18(3,4)5/h6-9H,10H2,1-5H3,(H,19,21)

InChIKey

BKORYSMNTUFAAN-UHFFFAOYSA-N

Smiles

Cc1cccc(c1NC(=O)c2cc(on2)COC(=O)C(C)(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 581, 1992.