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Substance Name: Heptanoic acid, 3-butyl-
RN: 58888-90-7
InChIKey: BCZCVRWRZMKPSR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H22-O2

Molecular Weight

  • 186.2928
 
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Names and Synonyms

Synonyms

  • 3-Butylheptanoic acid
  • Acide butyl-3 heptanoique
  • Acide butyl-3 heptanoique [French]
  • Acide dibutylpropionique
  • Acide dibutylpropionique [French]
  • BRN 2241803

Systematic Name

  • Heptanoic acid, 3-butyl-

Registry Numbers

CAS Registry Number

  • 58888-90-7

System Generated Number

  • 0058888907

Structure Descriptors

InChI

1S/C11H22O2/c1-3-5-7-10(8-6-4-2)9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)

InChIKey

BCZCVRWRZMKPSR-UHFFFAOYSA-N

Smiles

CCCCC(CCCC)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 453, 1975.