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Cefazolin EP Impurity B

CAT: 1596-AR-C01712-02Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01712-02Size:250 Units
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CAS Number
2384108-14-7
Synonyms
(6R,7R) -3- (((5-methyl-1,3,4-thiadiazol-2-yl) thio) methyl) -8-oxo-7-pivalamido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; Cefazolin Pivaloyl
Molecular Formula
C16H20N4O4S3
Molecular Weight
428.54
API Name
Cefazolin

Chemical Information

Cefazolin EP Impurity B
CAS Number2384108-14-7
PubChem CID124519572
IUPAC Name(6R,7R)-7-(2,2-dimethylpropanoylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC16H20N4O4S3
Molecular Weight428.6
XLogP0.8
Topological Polar Surface Area191
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity694
SMILES
CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(C)(C)C)SC2)C(=O)O
InChI
InChI=1S/C16H20N4O4S3/c1-7-18-19-15(27-7)26-6-8-5-25-12-9(17-14(24)16(2,3)4)11(21)20(12)10(8)13(22)23/h9,12H,5-6H2,1-4H3,(H,17,24)(H,22,23)/t9-,12-/m1/s1
InChIKey
PYQNLAKCAGCVKA-BXKDBHETSA-N
Chemical Structure
2D Structure
2D structure of Cefazolin EP Impurity B
CAS: 2384108-14-7
CID: 124519572
Formula: C16H20N4O4S3
MW: 428.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.6
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass428.06466865
Monoisotopic Mass428.06466865
Topological Polar Surface Area191 Ų
Heavy Atom Count27
Formal Charge0
Complexity694
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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Alternative Products

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FC63653-01Cefazolin impurity C
RM-C062750-01Cefazolin Impurity 50
RM-C063705-01Cefazolin Impurity 105
RM-C062729-01Cefazolin Impurity 29
RM-C062718-01Cefazolin Impurity 18
RM-C062739-01Cefazolin Impurity 39
RM-C062748-01Cefazolin Impurity 48
RM-C062776-01Cefazolin Impurity 76

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