cefpirome

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Ligands
cefpirome

GtoPdb Ligand ID: 12033

Synonyms: HR 810 | Romecef®

cefpirome is an approved drug (Thailand (2016))

Compound class: Synthetic organic

Comment: Cefpirome is a semisynthetic, fourth generation cephalosporin belonging to the β-lactam class of antibacterial compounds [1].

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	2
Rotatable bonds	8
Topological polar surface area	207.46
Molecular weight	514.11
XLogP	-0.85
No. Lipinski's rules broken	0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

SMILES / InChI / InChIKey

Canonical SMILES	CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1cccc2c1CCC2)/c1csc(n1)N
Isomeric SMILES	CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1cccc2c1CCC2)C(=O)[O-]
InChI	InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1
InChI Key	DKOQGJHPHLTOJR-WHRDSVKCSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)