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Substance Name: Hexanoic acid, 2-butyl-3-propyl-
RN: 58888-89-4
InChIKey: UKSCXYUSABTDEV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H26-O2

Molecular Weight

  • 214.3464
 
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Names and Synonyms

Synonyms

  • 2-Butyl-3-propylhexanoic acid
  • Acide butyl-2 propyl-3 hexanoique
  • Acide butyl-2 propyl-3 hexanoique [French]
  • BRN 2246187

Systematic Name

  • Hexanoic acid, 2-butyl-3-propyl-

Registry Numbers

CAS Registry Number

  • 58888-89-4

System Generated Number

  • 0058888894

Structure Descriptors

InChI

1S/C13H26O2/c1-4-7-10-12(13(14)15)11(8-5-2)9-6-3/h11-12H,4-10H2,1-3H3,(H,14,15)

InChIKey

UKSCXYUSABTDEV-UHFFFAOYSA-N

Smiles

CCCCC(C(CCC)CCC)C(=O)O

Toxicity

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