Benorylate supplier | CasNO.5003-48-5

Name
BENORILATE
EINECS 225-674-5
CAS No. 5003-48-5
Article Data2
CAS DataBase
Density 1.286 g/cm³
Solubility 20mg/L(21 oC)
Melting Point 177-181 °C
Formula C₁₇H₁₅NO₅
Boiling Point 537.8 °C at 760 mmHg
Molecular Weight 313.31
Flash Point 279 °C
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Hazard Symbols
Synonyms Salicylicacid acetate, ester with 4'-hydroxyacetanilide (7CI,8CI);Acetanilide,4'-hydroxy-, salicylate (ester) acetate (ester) (8CI);4-Acetaminophenyl 2-acetoxybenzoate;Acetylsalicylic acidparacetamol ester;Aspirin acetaminophen ester;Benortan;Fenasprate;Quinexin;p-Acetamidophenyl acetylsalicylate;p-N-Acetylaminophenyl acetylsalicylate;
PSA 81.70000
LogP 2.86250

Benorylate Specification

The CAS registry number of Selipran is 5003-48-5. Its EINECS registry number is 225-674-5. The IUPAC name is (4-acetamidophenyl) 2-acetyloxybenzoate. In addition, the molecular formula is C₁₇H₁₅NO₅ and the molecular weight is 313.30. It is also called p-acetamidophenyl acetylsalicylate. And it is an ester of aspirin and paracetamol with analgesic, antipyretic. It can be used in the treatment of rheumatoid diseases. What's more, it should be stored in sealed container, and put them in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.15; (2)ACD/LogD (pH 5.5): 2.15; (3)ACD/LogD (pH 7.4): 2.15; (4)ACD/BCF (pH 5.5): 25.35; (5)ACD/BCF (pH 7.4): 25.35; (6)ACD/KOC (pH 5.5): 352.05; (7)ACD/KOC (pH 7.4): 352.05; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 72.91 Å²; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 83.51 cm³; (14)Molar Volume: 243.5 cm³; (15)Polarizability: 33.1 ×10^-24cm³; (16)Surface Tension: 50.7 dyne/cm; (17)Density: 1.286 g/cm³; (18)Flash Point: 279 °C; (19)Enthalpy of Vaporization: 81.48 kJ/mol; (20)Boiling Point: 537.8 °C at 760 mmHg; (21)Vapour Pressure: 1.23E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc2ccccc2C(=O)Oc1ccc(NC(=O)C)cc1)C
(2)InChI: InChI=1/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)
(3)InChIKey: FEJKLNWAOXSSNR-UHFFFAOYAE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1255mg/kg (1255mg/kg)		United States Patent Document. Vol. #3431293,
mouse	LD50	oral	1551mg/kg (1551mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1692, 1978.
rat	LD50	intraperitoneal	1830mg/kg (1830mg/kg)		United States Patent Document. Vol. #3431293,
rat	LD50	oral	3500mg/kg (3500mg/kg)		European Patent Application. Vol. #0080609,
women	TDLo	unreported	1280mg/kg/8D- (1280mg/kg)	BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	British Medical Journal. Vol. 288, Pg. 1344, 1984.

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BENORILATE

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