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Ceftolozane

CAT: 0013-GTR19211077-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211077-01Size:1 mg
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Description
Ceftolozane
CAS Number
689293-68-3
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
C ([O-]) (=O) C=1N2[C@@] ([C@H] (NC (/C (=N\OC (C (O) =O) (C) C) /C3=NSC (N) =N3) =O) C2=O) (SCC1C[N+]4=CC (NC (NCCN) =O) =C (N) N4C) [H]
Molecular Formula
C23H30N12O8S2
Molecular Weight
666.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ceftolozane

Ceftolozane is a fifth-generation cephalosporin antibiotic having (5-amino-4-{[(2-aminoethyl)carbamoyl]amino}-1-methyl-1H-pyrazol-2-ium-2-yl)methyl and [(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino side groups located at positions 3 and 7 respectively; developed for the treatment of infections with gram-negative bacteria that have become resistant to conventional antibiotics. It is a cephalosporin and a member of thiadiazoles.

CAS Number689293-68-3
PubChem CID53234134
IUPAC Name(6R,7R)-3-[[5-amino-4-(2-aminoethylcarbamoylamino)-1-methylpyrazol-2-ium-2-yl]methyl]-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC23H30N12O8S2
Molecular Weight666.7
XLogP-3.2
Topological Polar Surface Area356
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity1280
SMILES
CC(C)(C(=O)O)O/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC(=C(N4C)N)NC(=O)NCCN)C(=O)[O-]
InChI
InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11-/t12-,18-/m1/s1
InChIKey
JHFNIHVVXRKLEF-DCZLAGFPSA-N
Chemical Structure
2D Structure
2D structure of Ceftolozane
CAS: 689293-68-3
CID: 53234134
Formula: C23H30N12O8S2
MW: 666.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight666.7
XLogP3-3.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass666.17509831
Monoisotopic Mass666.17509831
Topological Polar Surface Area356 Ų
Heavy Atom Count45
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1215-10Ceftolozane
M34543-01Ceftolozane sulfate
T201544-01Ceftolozane TFA
HY-106257A-01Ceftolozane (TFA)
AR-C02162-01Ceftolozane-d4
HY-19806A-01Ceftolozane (sulfate)
HY-106257SCeftolozane-d6 (TFA)
AR-C06839-01Ceftolozane Impurity 12
AR-C06833-01Ceftolozane Impurity 6
AR-C06843-01Ceftolozane Impurity 1

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