Ceftolozane Sulfate
(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
Molecular Identity
Ceftolozane Sulfate
(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
PubChem CID: 52918380
2D Structure
Properties
C23H32N12O12S3
Molecular Formula
764.80
Molecular Weight
g/mol
764.1425
Exact Mass
Da
439
TPSA
May have limited oral absorption
9
H-Bond Donors
20
H-Bond Acceptors
1360
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C(=O)O)ON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC(=C(N4C)N)NC(=O)NCCN)C(=O)O.OS(=O)(=O)[O-]Isomeric SMILES
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-]Synonyms(20)
Ceftolozane sulfate936111-69-2FR2642057R247U84HYDTXSID001027693ZERBAXA COMPONENT CEFTOLOZANE SULFATERefChem:918195DTXCID601513274CXA-101Ceftolozane sulfate [USAN](6R,7R)-3-[[3-amino-4-(2-aminoethylcarbamoylamino)-2-methylpyrazol-1-ium-1-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 sulfateCeftolozane Sulfate (Delta2/Delta3 mixture)(>85%)CXA-101 (FOR SULFATE)UNII-7R247U84HYCXA 101
Data from PubChem (NCBI)
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