| CAS Number | 90098-06-9 |
| Catalog Number | AG00H2N0(AGN-PC-0VQ1XK) |
| Chemical Name | 4-Quinolinepropanoic acid, α-[(2-chlorobenzoyl)amino]-1,2-dihydro-2-oxo- |
| IUPAC Name | 2-[(2-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid |
| InChI | InChI=1S/C19H15ClN2O4/c20-14-7-3-1-6-13(14)18(24)22-16(19(25)26)9-11-10-17(23)21-15-8-4-2-5-12(11)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26) |
| InChI Key | CICRNAAVEZYNSB-UHFFFAOYSA-N |
| MDL Number | MFCD30748223 |
| Molecular Formula | C19H15ClN2O4 |
| Molecular Weight | 370.7864 |
| SMILES | C(C(NC(=O)c1c(Cl)cccc1)C(=O)O)c1c2c([nH]c(=O)c1)cccc2 |
| Synonyms | 4-Deschloro-2-chlorobenzoyl Rebapimide,
90098-06-9,
SCHEMBL9294191,
CS-B1649,
CS-15278,
Rebamipide 2-Chloro Impurity,
CICRNAAVEZYNSB-UHFFFAOYSA-N,
|A-[(2-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid,
|
| Complexity | 606 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 370.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.789g/mol |
| Monoisotopic Mass | 370.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number