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Substance Name: Isovaleramide [USAN]
RN: 541-46-8
UNII: 9CP4KB634M
InChIKey: SANOUVWGPVYVAV-UHFFFAOYSA-N

Note

  • Inhibits liver alcohol dehydrogenases.

Classification Codes

  • Anxiolytic, Anticonvulsant, Antispastic, Antimigraine, Mood Stabilizer and Analgesic
  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H11-N-O

Molecular Weight

  • 101.148
 
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Names and Synonyms

Name of Substance

  • Isovaleramide
  • Isovaleramide [USAN]

Synonyms

  • 3-Methylbutanamide
  • 3-Methylbutyramide
  • 4-02-00-00902 (Beilstein Handbook Reference)
  • beta-Methylbutyramide
  • BRN 1740789
  • EINECS 208-781-1
  • Isopentanamide
  • Isovaleramide
  • Isovaleric acid amide
  • Isovaleric amide
  • NFS1776
  • NPS 1776
  • NSC 402555
  • UNII-9CP4KB634M

Systematic Names

  • Butanamide, 3-methyl-
  • Isovaleramide

Registry Numbers

CAS Registry Number

  • 541-46-8

FDA UNII

  • 9CP4KB634M

Other Registry Number

  • 502641-01-2

System Generated Number

  • 0000541468

Structure Descriptors

InChI

InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)

InChIKey

SANOUVWGPVYVAV-UHFFFAOYSA-N

Smiles

CC(C)CC(=O)N

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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 137 deg C   EXP
Boiling Point 226 deg C   EXP
log P (octanol-water) 0.240 (none)   EST
Atmospheric OH Rate Constant 1.08E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.