CAS No.64622-45-3,2-pyridylmethyl 2-(4-isobutylphenyl)propionate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64622-45-3
Name:	2-pyridylmethyl 2-(4-isobutylphenyl)propionate
Article Data:	6

Formula:	C19H23 N O2
Molecular Weight:	297.397
Synonyms:	Ibuprofen piconol;Pimeprofen;Staderm;U 75630;Vesicum;
EINECS:	264-979-8
Density:	1.0971 (rough estimate)
Boiling Point:	438.9°C (rough estimate)
Safety:	Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. Experimental teratogenic and reproductive effects. A skin and eye irritant. When heated to decomposition it emits toxic fumes of NO_x. See also p-ISOBUTYLHYDRATROPIC ACID (IBUPROFEN).
PSA:	39.19000
LogP:	4.12700

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Chemistry

Empirical Formula of Ibuprofen piconol (CAS NO.64622-45-3): C₁₉H₂₃NO₂
Molecular Weight: 297.3914 g/mol
Index of Refraction: 1.543
Density: 1.063 g/cm³
Flash Point: 197.5 °C
Enthalpy of Vaporization: 65.41 kJ/mol
Boiling Point: 402.9 °C at 760 mmHg
Vapour Pressure: 1.06E-06 mmHg at 25 °C
Structure of Ibuprofen piconol (CAS NO.64622-45-3):

IUPAC Name: Pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate
Canonical SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC2=CC=CC=N2
InChI: 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

Toxicity Data With Reference

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)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
mouse	LD50	oral	1980mg/kg (1980mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
mouse	LD50	subcutaneous	1250mg/kg (1250mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
rat	LD50	intraperitoneal	1410mg/kg (1410mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
rat	LD50	oral	1440mg/kg (1440mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED CTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.
rat	LD50	subcutaneous	1400mg/kg (1400mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 691, 1982.

Safety Profile

Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. Experimental teratogenic and reproductive effects. A skin and eye irritant. When heated to decomposition Ibuprofen piconol (CAS NO.64622-45-3) emits toxic fumes of NO_x. See also p-ISOBUTYLHYDRATROPIC ACID (IBUPROFEN).

Specification

Ibuprofen piconol , its cas register number is 64622-45-3. It also can be called Pimeprofen ; 2-(p-Isobutylphenyl)propionic acid 2-pyridylmethyl ester ; and alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid 2-pyridinylmethyl ester .