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Ceftolozane Impurity 14

CAT: 1596-AR-C06845-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C06845-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1956303-49-3
Synonyms
(Z) -2- (((1- (5-amino-1,2,4-thiadiazol-3-yl) -2- ((carboxymethyl) amino) -2-oxoethylidene) amino) oxy) -2-methylpropanoic acid
Molecular Formula
C10H13N5O6S
Molecular Weight
331.30
API Name
Ceftolozane

Chemical Information

2-[(Z)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(carboxymethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CAS Number1956303-49-3
PubChem CID121459628
IUPAC Name2-[(Z)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(carboxymethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
Molecular FormulaC10H13N5O6S
Molecular Weight331.31
XLogP0.3
Topological Polar Surface Area205
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity496
SMILES
CC(C)(C(=O)O)O/N=C(/C1=NSC(=N1)N)\C(=O)NCC(=O)O
InChI
InChI=1S/C10H13N5O6S/c1-10(2,8(19)20)21-14-5(6-13-9(11)22-15-6)7(18)12-3-4(16)17/h3H2,1-2H3,(H,12,18)(H,16,17)(H,19,20)(H2,11,13,15)/b14-5-
InChIKey
AEQWEQLRIUNHAP-RZNTYIFUSA-N
Chemical Structure
2D Structure
2D structure of 2-[(Z)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(carboxymethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CAS: 1956303-49-3
CID: 121459628
Formula: C10H13N5O6S
MW: 331.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.31
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass331.05865433
Monoisotopic Mass331.05865433
Topological Polar Surface Area205 Ų
Heavy Atom Count22
Formal Charge0
Complexity496
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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