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Cefazolin EP Impurity A

CAT: 1596-AR-C01716-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01716-01Size:50 Units
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CAS Number
30246-33-4
Synonyms
(6R,7R) -7-amino-3- (((5-methyl-1,3,4-thiadiazol-2-yl) thio) methyl) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;7-Amino-3-[ (2-methyl-1,3,4-thiadiazol-5-ylthio) methyl]-3-cephem-4-carboxylic Acid; (6R-trans) -7-Amino-3-[[ (5-methyl-1,3,4-thiadiazol-2-yl) thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; 7-ZACA; Cefazolin EP Impurity A;7-Amino-3-[ (5-methyl-1,3,4-thiadiazol-2-ylthio) methyl]-3-cephem-4-carboxylic Acid
Molecular Formula
C11H12N4O3S3
Molecular Weight
344.42
API Name
Cefazolin

Chemical Information

Cefazolin deacylated
CAS Number30246-33-4
PubChem CID6350581
IUPAC Name(6R,7R)-7-amino-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 FormulaC11H12N4O3S3
Molecular Weight344.4
XLogP-3.2
Topological Polar Surface Area188
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity515
SMILES
CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O
InChI
InChI=1S/C11H12N4O3S3/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18/h6,9H,2-3,12H2,1H3,(H,17,18)/t6-,9-/m1/s1
InChIKey
HJSGHKMSDOLGJJ-HZGVNTEJSA-N
Chemical Structure
2D Structure
2D structure of Cefazolin deacylated
CAS: 30246-33-4
CID: 6350581
Formula: C11H12N4O3S3
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP3-3.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass344.00715378
Monoisotopic Mass344.00715378
Topological Polar Surface Area188 Ų
Heavy Atom Count21
Formal Charge0
Complexity515
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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