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Ketoprofen lysinate

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Name

Ketoprofen lysinate

EINECS
CAS No. 57469-78-0 Density
Solubility Melting Point
Formula C16H14O3.C6H14N2O2 Boiling Point 431.3 °C at 760 mmHg
Molecular Weight 400.47 Flash Point 228.8 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 57469-78-0 (Lysyl-ketoprofen) Hazard Symbols
Synonyms

L-Lysine, mono(3-benzoyl-alpha-methylbenzeneacetate);2-(3-benzoylphenyl)propanoic acid; (2R)-2,6-diaminohexanoic acid;Ketoprofen lysine;Ketoprofen lysine salt;Ketoprofen lysinate;

 

Ketoprofen lysinate Specification

This chemical is called Ketoprofen lysinate, and its systematic name is 2-(3-benzoylphenyl)propanoic acid - lysine (1:1). With the molecular formula of C16H14O3.C6H14N2O2, its molecular weight is 400.47. The CAS registry number of this chemical is 57469-78-0, and its classification codes are Analgesics; Analgesics, Non-Narcotic; Anti-Inflammatory Agents; Anti-inflammatory Agents, Non-Steroidal; Antirheumatic Agents; Peripheral Nervous System Agents; Sensory System Agents. 

Other characteristics of the Ketoprofen lysinate can be summarised as followings: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å2; (13)Flash Point: 228.8 °C; (14)Enthalpy of Vaporization: 72.41 kJ/mol; (15)Boiling Point: 431.3 °C at 760 mmHg; (16)Vapour Pressure: 3.32E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)C(N)CCCCN.O=C(O)C(c2cc(C(=O)c1ccccc1)ccc2)C
2.InChI: InChI=1/C16H14O3.C6H14N2O2/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;7-4-2-1-3-5(8)6(9)10/h2-11H,1H3,(H,18,19);5H,1-4,7-8H2,(H,9,10)
3.InChIKey: VHIORVCHBUEWEP-UHFFFAOYAM

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