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Cefaclor EP Impurity C

CAT: 1299-RM-C031203-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C031203-03Size:50 mg
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CAS Number
143059-69-2
Synonyms
(6R,7R) -7-[[ (2S) -2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula
C15H14ClN3O4S
Molecular Weight
367.81
Target Alternative Name
Cefaclor
Product Name Synonym
(6R,7R) -7-[[ (2S) -2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Chemical Information

Cefaclor

Cefaclor is a cephalosporin bearing chloro and (R)-2-amino-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It has a role as an antibacterial drug and a drug allergen.

CAS Number143059-69-2
PubChem CID51039
IUPAC Name(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC15H14ClN3O4S
Molecular Weight367.8
XLogP-1.8
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity606
SMILES
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)Cl
InChI
InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
InChIKey
QYIYFLOTGYLRGG-GPCCPHFNSA-N
Chemical Structure
2D Structure
2D structure of Cefaclor
CAS: 143059-69-2
CID: 51039
Formula: C15H14ClN3O4S
MW: 367.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.8
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass367.0393548
Monoisotopic Mass367.0393548
Topological Polar Surface Area138 Ų
Heavy Atom Count24
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-C01643-01Cefaclor Impurity 8 (Cefaclor dimer)
AR-C06440-01Cefaclor Impurity 13
AR-C06442-01Cefaclor Impurity 15
AR-C06441-01Cefaclor Impurity 14
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