CEFTOLOZANE SULFATE

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Synonyms
Status
Molecule Category Salt-form
UNII 7R247U84HY

Structure

InChI Key UJDQGRLTPBVSFN-TVNHLQOTSA-N
Smiles Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)[O-])c3nsc(N)n3)[C@H]2SC1.O=S(=O)(O)O
InChI
InChI=1S/C23H30N12O8S2.H2O4S/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;1-5(2,3)4/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42);(H2,1,2,3,4)/b31-11-;/t12-,18-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H32N12O12S3
Molecular Weight 764.78
AlogP -3.9
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 12.0
Polar Surface Area 302.21
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 45.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR FDA

Cross References

Resources Reference
ChEMBL CHEMBL1213250
FDA SRS 7R247U84HY
PubChem 52918380
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