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Cefaclor EP Impurity D

CAT: 1299-RM-C031204-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C031204-02Size:25 mg
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CAS Number
152575-13-8
Synonyms
(6R,7R) -7- ((R) -2-amino-2-phenylacetamido) -3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Molecular Formula
C15H14ClN3O4S
Molecular Weight
367.81
Target Alternative Name
Cefaclor
Product Name Synonym
(6R,7R) -7- ((R) -2-amino-2-phenylacetamido) -3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Chemical Information

7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
CAS Number152575-13-8
PubChem CID101170203
IUPAC Name(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Molecular FormulaC15H14ClN3O4S
Molecular Weight367.8
XLogP-1
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity593
SMILES
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
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/h1-6,9-11,14H,17H2,(H,18,20)(H,22,23)/t9-,10-,11?,14-/m1/s1
InChIKey
UPMVPDSZPOOATN-ULZUWYFZSA-N
Chemical Structure
2D Structure
2D structure of 7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
CAS: 152575-13-8
CID: 101170203
Formula: C15H14ClN3O4S
MW: 367.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.8
XLogP3-1
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
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-C06442-01Cefaclor Impurity 15
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