cefotiam   Click here for help

GtoPdb Ligand ID: 12254

Synonyms: SCE 963
Compound class: Synthetic organic
Comment: Cefotiam is a second generation cephalosporin, belonging to the β-lactam class of antibacterial compounds.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 251.3
Molecular weight 525.1
XLogP -3.04
No. Lipinski's rules broken 1
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Canonical SMILES CN(CCn1nnnc1SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1csc(n1)N)C
Isomeric SMILES CN(C)CCn1c(nnn1)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc2csc(n2)N)SC1)C(=O)O
InChI InChI=1S/C18H23N9O4S3/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)/t12-,15-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
4565 cefotiam
Synonyms Click here for help
SCE 963
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo Cefotiam
Other databases
CAS Registry No. 61622-34-2 (source: Scifinder)
ChEBI CHEBI:355510
ChEMBL Ligand CHEMBL1296
DrugBank Ligand DB00229
DrugCentral Ligand 548
GtoPdb PubChem SID 473153842
PubChem CID 43708
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UniChem Compound Search for chemical match using the InChIKey QYQDKDWGWDOFFU-IUODEOHRSA-N
UniChem Connectivity Search for chemical match using the InChIKey QYQDKDWGWDOFFU-IUODEOHRSA-N