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Cefazedone Impurity 6

CAT: 1596-AR-C01694-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01694-01Size:10 Units
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CAS Number
56187-36-1
Synonyms
(6R,7R) -3- (acetoxymethyl) -7- (2- (3,5-dichloro-4-oxopyridin-1 (4H) -yl) acetamido) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula
C17H15Cl2N3O7S
Molecular Weight
476.28
API Name
Cefazedone

Chemical Information

Cefazedone Impurity 6
CAS Number56187-36-1
PubChem CID154996
IUPAC Name(6R,7R)-3-(acetyloxymethyl)-7-[[2-(3,5-dichloro-4-oxo-1-pyridinyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC17H15Cl2N3O7S
Molecular Weight476.3
XLogP0.3
Topological Polar Surface Area159
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity924
SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CN3C=C(C(=O)C(=C3)Cl)Cl)SC1)C(=O)O
InChI
InChI=1S/C17H15Cl2N3O7S/c1-7(23)29-5-8-6-30-16-12(15(26)22(16)13(8)17(27)28)20-11(24)4-21-2-9(18)14(25)10(19)3-21/h2-3,12,16H,4-6H2,1H3,(H,20,24)(H,27,28)/t12-,16-/m1/s1
InChIKey
PIGGEXTUKZGHDX-MLGOLLRUSA-N
Chemical Structure
2D Structure
2D structure of Cefazedone Impurity 6
CAS: 56187-36-1
CID: 154996
Formula: C17H15Cl2N3O7S
MW: 476.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.3
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass475.0007764
Monoisotopic Mass475.0007764
Topological Polar Surface Area159 Ų
Heavy Atom Count30
Formal Charge0
Complexity924
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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