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Substance Name: Ibuprofen piconol [USAN:JAN]
RN: 64622-45-3
UNII: B0F91K5U4N
InChIKey: ACEWLPOYLGNNHV-UHFFFAOYSA-N

Note

  • Pyridyl ester of ibuprofen.

Molecular Formula

  • C19-H23-N-O2

Molecular Weight

  • 297.3957
 

Classification Codes

  • Anti-Inflammatory (Topical)
  • Drug / Therapeutic Agent
  • Reproductive Effect
  • Skin / Eye Irritant
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Names and Synonyms

Name of Substance

  • Ibuprofen piconol
  • Ibuprofen piconol [USAN:JAN]

Synonyms

  • 2-(p-Isobutylphenyl)propionic acid 2-pyridylmethyl ester
  • 2-Pyridylmethyl 2-(p-(2-methylpropyl)phenyl)propionate
  • alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid 2-pyridinylmethyl ester
  • BE 100
  • Be-100
  • EINECS 264-979-8
  • Ibuprofen piconol
  • Pimeprofen
  • Propionic acid, 2-(p-isobutylphenyl)-, 2-pyridylmethyl ester
  • Staderm
  • U 75630
  • U-75630
  • UNII-B0F91K5U4N
  • Vesicum

Systematic Names

  • 2-Pyridylmethyl 2-(4-isobutylphenyl)propionate
  • Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, 2-pyridinylmethyl ester

Registry Numbers

CAS Registry Number

  • 64622-45-3

FDA UNII

  • B0F91K5U4N

Other Registry Number

  • 112017-99-9

System Generated Number

  • 0064622453

Structure Descriptors

InChI

1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3

InChIKey

ACEWLPOYLGNNHV-UHFFFAOYSA-N

Smiles

CC(C)Cc1ccc(cc1)C(C)C(=O)OCc2ccccn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 4gm/kg (4000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
dog LD50 subcutaneous 986mg/kg (986mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
mouse LD50 intraperitoneal 709mg/kg (709mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
mouse LD50 intraperitoneal 709mg/kg (709mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
mouse LD50 oral 1980mg/kg (1980mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
mouse LD50 subcutaneous 1250mg/kg (1250mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
rat LD50 intraperitoneal 1410mg/kg (1410mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
rat LD50 intraperitoneal 1410mg/kg (1410mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
rat LD50 oral 1440mg/kg (1440mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
rat LD50 subcutaneous 1400mg/kg (1400mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
rat LD50 subcutaneous 1400mg/kg (1400mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.