cefaclor   Click here for help

GtoPdb Ligand ID: 10897

Synonyms: Ceclor® | Lilly 99638 | Raniclor®
Approved drug
cefaclor is an approved drug (FDA (1979))
Compound class: Synthetic organic
Comment: This is the structure for the anhydrous molecule. Cefaclor is second generation cephalosporin. Distaclor capsules contain cefaclor monohydrate as the active ingredient.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 138.03
Molecular weight 367.04
XLogP -1.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cl
Isomeric SMILES NC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)Cl
InChI InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)
InChI Key QYIYFLOTGYLRGG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1979))
IUPAC Name Click here for help
(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-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
4086 cefaclor
Synonyms Click here for help
Ceclor® | Lilly 99638 | Raniclor®
Database Links Click here for help
BindingDB Ligand 42131
ChEMBL Ligand CHEMBL680
DrugBank Ligand DB00833
GtoPdb PubChem SID 405560338
PubChem CID 51039
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