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Substance Name: Valeric acid, 2-propyl-, o-methoxyphenyl ester
RN: 30129-28-3
InChIKey: SDHKUHUVCAPACE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-O3

Molecular Weight

  • 250.336
 
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Names and Synonyms

Synonyms

  • 2-Propylvaleric acid o-methoxyphenyl ester
  • BRN 2458016
  • o-Methoxyphenyl 2-propylvalerate
  • SAS 559

Systematic Name

  • Valeric acid, 2-propyl-, o-methoxyphenyl ester

Registry Numbers

CAS Registry Number

  • 30129-28-3

System Generated Number

  • 0030129283

Structure Descriptors

InChI

1S/C15H22O3/c1-4-8-12(9-5-2)15(16)18-14-11-7-6-10-13(14)17-3/h6-7,10-12H,4-5,8-9H2,1-3H3

InChIKey

SDHKUHUVCAPACE-UHFFFAOYSA-N

Smiles

C(C(CCC)CCC)(=O)Oc1c(cccc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 433, 1968.
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 433, 1968.
rat LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 433, 1968.
rat LD50 oral > 2gm/kg (2000mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 433, 1968.