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Substance Name: 2-Propyl-4-pentenoic acid
RN: 1575-72-0
UNII: 2GYI36I25W
InChIKey: UMYDNZXEHYSVFY-UHFFFAOYSA-N

Note

  • Putative toxic metabolite of valproic acid.

Classification Codes

  • Noxae
  • Teratogens

Molecular Formula

  • C8-H14-O2

Molecular Weight

  • 142.197
 
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Names and Synonyms

Name of Substance

  • 2-Propyl-4-pentenoic acid

Synonyms

  • (+-)-2-n-Propyl-4-pentenoic acid
  • (+-)-4-En-valproic acid
  • 0-02-00-00452 (Beilstein Handbook Reference)
  • 2-Allylpentanoic acid
  • 2-Allylvaleric acid
  • 2-Propyl-4-pentenoic acid
  • 4-En-valproic acid
  • 4-En-VPA
  • BRN 1704069
  • Pentanoic acid, 2-(2-propenyl)-
  • R,S-4-en-VPA
  • UNII-2GYI36I25W

Systematic Name

  • 4-Pentenoic acid, 2-propyl-

Registry Numbers

CAS Registry Number

  • 1575-72-0

FDA UNII

  • 2GYI36I25W

Other Registry Number

  • 124815-86-7

System Generated Number

  • 0001575720

Structure Descriptors

InChI

1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)

InChIKey

UMYDNZXEHYSVFY-UHFFFAOYSA-N

Smiles

C=CC[C@@H](CCC)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1160mg/kg (1160mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Neuropharmacology. Vol. 24, Pg. 427, 1985.
mouse LD50 intravenous 1gm/kg (1000mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Neuropharmacology. Vol. 24, Pg. 427, 1985.