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Ceftolozane Impurity 13

CAT: 1596-AR-C06844-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-C06844-05Size:150
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CAS Number
1956303-48-2
Synonyms
(Z) -2- (((2-amino-1- (5-amino-1,2,4-thiadiazol-3-yl) -2-oxoethylidene) amino) oxy) -2-methylpropanoic acid
Molecular Formula
C8H11N5O4S
Molecular Weight
273.27
API Name
Ceftolozane

Chemical Information

2-[(Z)-[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CAS Number1956303-48-2
PubChem CID88594818
IUPAC Name2-[(Z)-[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
Molecular FormulaC8H11N5O4S
Molecular Weight273.27
XLogP0.3
Topological Polar Surface Area182
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity386
SMILES
CC(C)(C(=O)O)O/N=C(/C1=NSC(=N1)N)\C(=O)N
InChI
InChI=1S/C8H11N5O4S/c1-8(2,6(15)16)17-12-3(4(9)14)5-11-7(10)18-13-5/h1-2H3,(H2,9,14)(H,15,16)(H2,10,11,13)/b12-3+
InChIKey
HFXPJVOXPNLBIS-KGVSQERTSA-N
Chemical Structure
2D Structure
2D structure of 2-[(Z)-[2-amino-1-(5-amino-1,2,4-thiadiazol-3-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CAS: 1956303-48-2
CID: 88594818
Formula: C8H11N5O4S
MW: 273.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.27
XLogP30.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass273.05317502
Monoisotopic Mass273.05317502
Topological Polar Surface Area182 Ų
Heavy Atom Count18
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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