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Substance Name: Cicrotoic acid [INN:DCF]
RN: 25229-42-9
UNII: LMP5BMU9EF
InChIKey: WVRIPRILKKOIQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H16-O2

Molecular Weight

  • 168.2344
 
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Names and Synonyms

Name of Substance

  • Cicrotoic acid
  • Cicrotoic acid [INN:DCF]

Synonyms

  • 3-Cyclohexyl-2-butenoic acid
  • Accroibile
  • Acide cicrotoique
  • Acide cicrotoique [INN-French]
  • Acido cicrotoico
  • Acido cicrotoico [INN-Spanish]
  • Acidum cicrotoicum
  • Acidum cicrotoicum [INN-Latin]
  • AD 106
  • AD-106
  • beta-Cyclohexyl-beta-methacrylic acid
  • beta-Methylcyclohexaneacrylic acid
  • beta-Methylcyclohexanepropenoic acid
  • BRN 2640850
  • Cicrotoic acid
  • Cicrotoinsaeure
  • EINECS 246-739-4
  • UNII-LMP5BMU9EF

Systematic Names

  • 2-Butenoic acid, 3-cyclohexyl- (9CI)
  • beta-Methylcyclohexaneacrylic acid
  • Cicrotoic acid
  • Cyclohexaneacrylic acid, beta-methyl-

Registry Numbers

CAS Registry Number

  • 25229-42-9

FDA UNII

  • LMP5BMU9EF

System Generated Number

  • 0025229429

Structure Descriptors

InChI

1S/C10H16O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)

InChIKey

WVRIPRILKKOIQL-UHFFFAOYSA-N

Smiles

CC(=CC(=O)O)C1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1925mg/kg (1925mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 353, 1989.
rat LD50 oral 2900mg/kg (2900mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 353, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 85.5 deg C   EXP
log P (octanol-water) 3.670 (none)   EST
Atmospheric OH Rate Constant 4.11E-11 cm3/molecule-sec 25 EST

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