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Rebamipide impurity 6 (Standard)

CAT: 0804-HY-Z4184RSize: 1 EachDry Ice: NoHazardous: No
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Description
2- (3,4-Dichlorobenzamido) -3- (2-oxo-1,2-dihydroquinolin-4-yl) propanoic acid (Rebamipide Impurity) (Standard) is the analytical standard of 2- (3,4-Dichlorobenzamido) -3- (2-oxo-1,2-dihydroquinolin-4-yl) propanoic acid (Rebamipide Impurity) . This product is intended for research and analytical applications.
CAS Number
90098-08-1
UNSPSC
12352005
Target
Reference Standards
Related Pathways
Others
Smiles
O=C(O)C(NC(C1=CC=C(Cl)C(Cl)=C1)=O)CC2=CC(NC3=C2C=CC=C3)=O
Molecular Formula
C19H14Cl2N2O4
Molecular Weight
405.23
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

2-(3,4-Dichlorobenzamido)-3-(2-oxo-1,2-dihydroquinolin-4-YL)propanoic acid
CAS Number90098-08-1
PubChem CID13342119
IUPAC Name2-[(3,4-dichlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
Molecular FormulaC19H14Cl2N2O4
Molecular Weight405.2
XLogP3
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity639
SMILES
C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H14Cl2N2O4/c20-13-6-5-10(7-14(13)21)18(25)23-16(19(26)27)8-11-9-17(24)22-15-4-2-1-3-12(11)15/h1-7,9,16H,8H2,(H,22,24)(H,23,25)(H,26,27)
InChIKey
ACWAZPNCTSGRIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Dichlorobenzamido)-3-(2-oxo-1,2-dihydroquinolin-4-YL)propanoic acid
CAS: 90098-08-1
CID: 13342119
Formula: C19H14Cl2N2O4
MW: 405.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.2
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass404.0330623
Monoisotopic Mass404.0330623
Topological Polar Surface Area95.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity639
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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