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Rebamipide 3-Chloro Impurity

CAT: 0572-TRC-R139004-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R139004-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
90098-05-8
Synonyms
4-Quinolinepropanoic acid, α-[(3-chlorobenzoyl)amino]-1,2-dihydro-2-oxo-; α-[(3-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid; 2-[(3-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OC(=O)C(CC1=CC(=O)Nc2ccccc12)NC(=O)c3cccc(Cl)c3
Molecular Formula
C19 H15 Cl N2 O4
Molecular Weight
370.7864
InChI
InChI=1S/C19H15ClN2O4/c20-13-5-3-4-11(8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-7-2-1-6-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)
Additionnal Information
IUPAC name: 2-[(3-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Rebamipide 3-Chloro Impurity
CAS Number90098-05-8
PubChem CID13342114
IUPAC Name2-[(3-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
Molecular FormulaC19H15ClN2O4
Molecular Weight370.8
XLogP2.4
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity606
SMILES
C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H15ClN2O4/c20-13-5-3-4-11(8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-7-2-1-6-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)
InChIKey
BDWGQNMAAZVUQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rebamipide 3-Chloro Impurity
CAS: 90098-05-8
CID: 13342114
Formula: C19H15ClN2O4
MW: 370.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.8
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass370.0720347
Monoisotopic Mass370.0720347
Topological Polar Surface Area95.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity606
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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