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Chemical structure of Ceftolozane sulfate

GC75877

Ceftolozane sulfate

Also known as (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-carboxylic acid;hydrogen sulfate

Ceftolozane (CXA-101) sulfate is an antipseudomonal cephalosporin

ChemicalCAS936111-69-2MW764.77FormulaC23H32N12O12S3
CAS number
936111-69-2
Molecular weight
764.77
Formula
C23H32N12O12S3
Solubility
DMSO： 50 mg/mL (65·38 mM; ultrasonic and heat to 60°C); H2O： 10 mg/mL (13·08 mM; Need ultrasonic)
InChIKey
UJDQGRLTPBVSFN-TVNHLQOTSA-N
Catalogue number
GC75877
Brand
GLPBIO
Computed properties PubChem CID 52918380 · TPSA 439 Ų · H-bond donors 9 · H-bond acceptors 20
TPSA
439 Ų
H-bond donors
9
H-bond acceptors
20
Rotatable bonds
12
Heavy atoms
50

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.OS(=O)(=O)[O-]

Computed descriptors from PubChem (CID 52918380), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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