(R)-2-[(4-Chlorobenzoyl)amino]-3-(1,2-dihydro-2-oxo-4-quinolyl)propanoic acid supplier

Name
rebamipide
EINECS
CAS No. 111911-90-1
Article Data1
CAS DataBase
Density 1.394 g/cm³
Solubility
Melting Point
Formula C₁₉H₁₅ClN₂O₄
Boiling Point 695 °C at 760 mmHg
Molecular Weight 370.792
Flash Point 374.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(4-Chlorobenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-D-alanine;(R)-2-(4-Chlorobenzamido)-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid;(R)-2-[(4-Chlorobenzoyl)amino]-3-(1,2-dihydro-2-oxo-4-quinolyl)propanoic acid;4-Quinolinepropanoic acid, α-[(4-chlorobenzoyl)amino]-1,2-dihydro-2-oxo-, (alphaR)-;
PSA 99.26000
LogP 2.99810

(R)-2-[(4-Chlorobenzoyl)amino]-3-(1,2-dihydro-2-oxo-4-quinolyl)propanoic acid Specification

The (R)-2-[(4-Chlorobenzoyl)amino]-3-(1,2-dihydro-2-oxo-4-quinolyl)propanoic acid, with the CAS registry number 111911-90-1, is also known as 4-Quinolinepropanoic acid, α-[(4-chlorobenzoyl)amino]-1,2-dihydro-2-oxo-, (alphaR)-. This chemical's molecular formula is C₁₉H₁₅ClN₂O₄ and molecular weight is 370.79. Its systematic name is called N-(4-Chlorobenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-D-alanine.

Physical properties about (R)-2-[(4-Chlorobenzoyl)amino]-3-(1,2-dihydro-2-oxo-4-quinolyl)propanoic acid are: (1)ACD/LogP: 2.90 ; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 66.92 Å²; (6)Index of Refraction: 1.634; (7)Molar Refractivity: 95.07 cm³; (8)Molar Volume: 265.8 cm³; (9)Surface Tension: 58.3 dyne/cm; (10)Density: 1.394 g/cm³; (11)Flash Point: 374.1 °C; (12)Enthalpy of Vaporization: 106.9 kJ/mol; (13)Boiling Point: 695 °C at 760 mmHg; (14)Vapour Pressure: 2.83E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(=O)N[C@@H](C(=O)O)CC=3c2c(cccc2)NC(=O)C=3
(2)InChI: InChI=1/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)/t16-/m1/s1
(3)InChIKey: ALLWOAVDORUJLA-MRXNPFEDBZ

Product Name

rebamipide

(R)-2-[(4-Chlorobenzoyl)amino]-3-(1,2-dihydro-2-oxo-4-quinolyl)propanoic acid Specification

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