CAS No.51234-28-7,Uniprofen Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51234-28-7
Name:	Uniprofen
Article Data:	13

Formula:	C₁₆H₁₂ClNO₃
Molecular Weight:	301.729
Synonyms:	(RS)-Benoxaprofen;(?à)-2-(4-Chlorophenyl)-a-methyl-5-benzoxazoleacetic acid;(?à)-Benoxaprofen;2-(4-Chlorophenyl)-a-methyl-5-benzoxazoleacetic acid;2-[2-(4-Chlorophenyl)benzoxazol-5-yl]-propanoic acid;299582Q1;Benoxaprofen;Compound 90459;Coxigon;LRCL 3794;Lilly 90459;NSC 299582;Opren;Oraflex;Uniprofen;dl-Benoxaprofen;
EINECS:	257-069-7
Density:	1.362 g/cm³
Melting Point:	189.5°C
Boiling Point:	446.2 °C at 760 mmHg
Flash Point:	223.6 °C
PSA:	63.33000
LogP:	4.33630

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Specification

The Oraflex is an organic compound with the formula C₁₆H₁₂ClNO₃. The IUPAC name of this chemical is 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid. With the CAS registry number 51234-28-7, it is also named as 5-benzoxazoleacetic acid, 2-(4-chlorophenyl)-a-methyl-. The product's classification codes are Analgesic; Analgesics; Analgesics, Non-Narcotic; Anti-Inflammatory Agents; Anti-inflammatory; Anti-inflammatory agents, non-steroidal; Antirheumatic Agents; Dermatologic agents; Drug / Therapeutic Agent; Enzyme Inhibitors; Human Data; Lipoxygenase inhibitors; Mutation data; Peripheral Nervous System; Agents; Sensory System Agents.

Physical properties about Oraflex are: (1)ACD/LogP: 4.41; (2)ACD/LogD (pH 5.5): 3.36; (3)ACD/LogD (pH 7.4): 1.56; (4)ACD/BCF (pH 5.5): 119.32; (5)ACD/BCF (pH 7.4): 1.88; (6)ACD/KOC (pH 5.5): 538.56; (7)ACD/KOC (pH 7.4): 8.49; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 52.33 Å²; (12)Index of Refraction: 1.639; (13)Molar Refractivity: 79.72 cm³; (14)Molar Volume: 221.5 cm³; (15)Polarizability: 31.6×10^-24cm³; (16)Surface Tension: 55.7 dyne/cm; (17)Density: 1.362 g/cm³; (18)Flash Point: 223.6 °C; (19)Enthalpy of Vaporization: 74.22 kJ/mol; (20)Boiling Point: 446.2 °C at 760 mmHg; (21)Vapour Pressure: 9.61E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(c1cc2nc(oc2cc1)c3ccc(Cl)cc3)C
(2)InChI: InChI=1/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)
(3)InChIKey: MITFXPHMIHQXPI-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)
(5)Std. InChIKey: MITFXPHMIHQXPI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	780mg/kg/13W- (780mg/kg)	ENDOCRINE: GYNECOMASTIA	British Medical Journal. Vol. 284, Pg. 1365, 1982.
mouse	LD50	intraperitoneal	398mg/kg (398mg/kg)		Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 4445, 1981.
mouse	LD50	oral	800mg/kg (800mg/kg)		Journal of Medicinal Chemistry. Vol. 18, Pg. 53, 1975.
mouse	LD50	subcutaneous	482mg/kg (482mg/kg)		Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 4445, 1981.
rat	LD50	intraperitoneal	129mg/kg (129mg/kg)		Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 4445, 1981.
rat	LD50	oral	118mg/kg (118mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: ATAXIA BLOOD: APLASTIC ANEMIA	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 4445, 1981.
rat	LD50	subcutaneous	121mg/kg (121mg/kg)		Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 9, Pg. 4445, 1981.
women	LDLo	oral	780mg/kg/65D- (780mg/kg)	LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED"	Lancet. Vol. 1, Pg. 959, 1982.
women	TDLo	oral	168mg/kg/2W-I (168mg/kg)	KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED BLOOD: EOSINOPHILIA	Nephron. Vol. 35, Pg. 279, 1983.
women	TDLo	oral	552mg/kg/46D- (552mg/kg)	LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED"	Lancet. Vol. 1, Pg. 959, 1982.