CEFOTIAM HYDROCHLORIDE

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Trade Names:
Synonyms:
Status: Approved (1988)
Entry Type: Small molecule
Molecule Category: Salt
UNII: H7V12WDZ93
Parent Compound: CEFOTIAM

Structure
InChI Key SVSFIELZISOJDT-XRZFDKQNSA-N
Smile 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

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

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL1200589
EPA CompTox DTXSID1045538
FDA SRS H7V12WDZ93
PubChem 47896
SureChEMBL SCHEMBL65480
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