CEFOTIAM HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII H7V12WDZ93
EPA CompTox DTXSID1045538
Parent Compound: CEFOTIAM

Structure

InChI Key SVSFIELZISOJDT-XRZFDKQNSA-N
Smiles CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.Cl
InChI
InChI=1S/C18H23N9O4S3.ClH/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10;/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31);1H/t12-,15-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24ClN9O4S3
Molecular Weight 562.1
AlogP -0.65
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 172.46
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

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

Cross References

Resources Reference
ChEMBL CHEMBL1200589
FDA SRS H7V12WDZ93
PubChem 47896
SureChEMBL SCHEMBL65480
CONTENTS