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Ceftolozane Impurity 11

CAT: 1596-AR-C06838-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C06838-06Size:250 Units
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CAS Number
76028-96-1
Synonyms
(Z) -2- (5-amino-1,2,4-thiadiazol-3-yl) -2- (((1- (tert-butoxy) -2-methyl-1-oxopropan-2-yl) oxy) imino) acetic acid
Molecular Formula
C12H18N4O5S
Molecular Weight
330.36
API Name
Ceftolozane

Chemical Information

(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-methyl-1-((2-methylpropan-2-yl)oxy)-1-oxopropan-2-yl)oxyiminoacetic acid
CAS Number76028-96-1
PubChem CID13577059
IUPAC Name(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid
Molecular FormulaC12H18N4O5S
Molecular Weight330.36
XLogP2.2
Topological Polar Surface Area165
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity475
SMILES
CC(C)(C)OC(=O)C(C)(C)O/N=C(/C1=NSC(=N1)N)\C(=O)O
InChI
InChI=1S/C12H18N4O5S/c1-11(2,3)20-9(19)12(4,5)21-15-6(8(17)18)7-14-10(13)22-16-7/h1-5H3,(H,17,18)(H2,13,14,16)/b15-6-
InChIKey
BWCJDZVONAOWHO-UUASQNMZSA-N
Chemical Structure
2D Structure
2D structure of (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-methyl-1-((2-methylpropan-2-yl)oxy)-1-oxopropan-2-yl)oxyiminoacetic acid
CAS: 76028-96-1
CID: 13577059
Formula: C12H18N4O5S
MW: 330.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.36
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass330.09979086
Monoisotopic Mass330.09979086
Topological Polar Surface Area165 Ų
Heavy Atom Count22
Formal Charge0
Complexity475
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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