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Substance Name: Hippuric acid, 4-(allyloxy)-3,5-dipropyl-
RN: 101564-63-0
InChIKey: BOKHEPFBRABENZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N-O4

Molecular Weight

  • 319.398
 
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Names and Synonyms

Synonyms

  • 4-Allyoxy-3,5-dipropylhippuric acid
  • N-(4-Allyloxy-3,5-dipropylbenzoyl)glycine

Systematic Name

  • Hippuric acid, 4-(allyloxy)-3,5-dipropyl-

Registry Numbers

CAS Registry Number

  • 101564-63-0

System Generated Number

  • 0101564630

Structure Descriptors

InChI

1S/C18H25NO4/c1-4-7-13-10-15(18(22)19-12-16(20)21)11-14(8-5-2)17(13)23-9-6-3/h6,10-11H,3-5,7-9,12H2,1-2H3,(H,19,22)(H,20,21)

InChIKey

BOKHEPFBRABENZ-UHFFFAOYSA-N

Smiles

c1(c(cc(C(NCC(O)=O)=O)cc1CCC)CCC)OCC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 179, 1960.