imipenem

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imipenem

GtoPdb Ligand ID: 10821

Synonyms: MK-0787 | MK0787 | Primaxin® (imipenem + cilastatin) | Recarbrio® (imipenem + cilastatin + relebactam).

imipenem is an approved drug (FDA (1985), UK (1988))

Compound class: Synthetic organic

Comment: Imipenem is a broad-spectrum, semi-synthetic, intravenous β-lactam carbapenem derived from thienamycin.

imipenem is commercially available from our sponsors

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	7
Hydrogen bond donors	3
Rotatable bonds	6
Topological polar surface area	141.52
Molecular weight	299.09
XLogP	-3.02
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	C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O
Isomeric SMILES	C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O
InChI	InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1
InChI Key	ZSKVGTPCRGIANV-ZXFLCMHBSA-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/)