CEFTOBIPROLE MEDOCARIL

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Mixture
ATC J01DI01
UNII N99027V28J

Structure

InChI Key HFTSMHTWUFCYMJ-FDNJTQOMSA-N
Smiles Cc1oc(=O)oc1COC(=O)N1CC[C@@H](N2CC/C(=C\C3=C(C(=O)O)N4C(=O)[C@@H](NC(=O)/C(=N/O)c5nsc(N)n5)[C@H]4SC3)C2=O)C1
InChI
InChI=1S/C26H26N8O11S2/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31)/b11-6+,30-15+/t13-,16-,22-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H26N8O11S2
Molecular Weight 690.67
AlogP -0.54
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 264.3
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 47.0

Pharmacology

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

Cross References

Resources Reference
ChEMBL CHEMBL1652606
FDA SRS N99027V28J
PubChem 135413543
ZINC ZINC000072123798
ChEMBL CHEMBL4297101
FDA SRS N99027V28J
PubChem 135413543
SureChEMBL SCHEMBL3069914
CONTENTS