ERTAPENEM SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 2T90KE67L0
Parent Compound: ERTAPENEM

Structure

InChI Key ZXNAQFZBWUNWJM-HRXMHBOMSA-M
Smiles C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)[C@H](C)[C@H]12.[Na+]
InChI
InChI=1S/C22H25N3O7S.Na/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30;/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32);/q;+1/p-1/t9-,10-,13+,14+,15-,16-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24N3NaO7S
Molecular Weight 497.51
AlogP 0.94
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 156.27
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 33.0

Pharmacology

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

Cross References

Resources Reference
ChEBI 60070
ChEMBL CHEMBL1232
FDA SRS 2T90KE67L0
PubChem 11145493
SureChEMBL SCHEMBL102761
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