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Substance Name: Apronalide
RN: 528-92-7
UNII: V18J24E25E
InChIKey: KSUUMAWCGDNLFK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H16-N2-O2

Molecular Weight

  • 184.237
 
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Names and Synonyms

Name of Substance

  • Apronalide

Synonyms

  • (2-Isopropyl-4-pentenoyl)urea
  • 4-03-00-00120 (Beilstein Handbook Reference)
  • Allylisopropylacetylcarbamide
  • Allylisopropylacetylurea
  • Apronal
  • Apronalide
  • BRN 1775529
  • EINECS 208-443-3
  • Isodormid
  • Isopropylallylazetylkarbamid
  • Isopropylallylazetylkarbamid [German]
  • N-(Aminocarbonyl)-2-(1-methylethyl)-4-pentenamide
  • Sedormid
  • UNII-V18J24E25E

Systematic Names

  • (2-Isopropylpent-4-enoyl)urea
  • Urea, (2-isopropyl-4-pentenoyl)-

Registry Numbers

CAS Registry Number

  • 528-92-7

FDA UNII

  • V18J24E25E

System Generated Number

  • 0000528927

Structure Descriptors

InChI

InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)

InChIKey

KSUUMAWCGDNLFK-UHFFFAOYSA-N

Smiles

CC(C)C(CC=C)C(=O)NC(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo oral 300mg/kg (300mg/kg)   Deutsche Medizinische Wochenschrift. Vol. 54, Pg. 1166, 1928.
guinea pig LDLo oral 600mg/kg (600mg/kg)   Deutsche Medizinische Wochenschrift. Vol. 54, Pg. 1166, 1928.
mouse LD50 oral 1220mg/kg (1220mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 19, Pg. 323, 1980.
rabbit LDLo oral 1250mg/kg (1250mg/kg)   Deutsche Medizinische Wochenschrift. Vol. 54, Pg. 1166, 1928.
rat LD50 oral 1050mg/kg (1050mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 19, Pg. 323, 1980.
rat LDLo unreported 400mg/kg (400mg/kg)   Journal of the American Pharmaceutical Association. Vol. 23, Pg. 788, 1934.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 194 deg C   EXP
log P (octanol-water) 1.660 (none)   EST
Water Solubility 330 mg/L   EXP
Atmospheric OH Rate Constant 4.20E-11 cm3/molecule-sec 25 EST

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