Ertapenem sodiumProduct ingredient for Ertapenem
- Name
- Ertapenem sodium
- Drug Entry
- Ertapenem
Ertapenem is a 1-β methyl-carbapenem that is structurally related to beta-lactam antibiotics.5 It was first authorized for use in the US in November 2001 and in Europe in April 2002.1 Shown to be effective against a wide range of Gram-positive and Gram-negative aerobic and anaerobic bacteria, ertapenem is used to treat various bacterial infections.
- Accession Number
- DBSALT001460
- Structure
- Synonyms
- Not Available
- External IDs
- L-749345 / MK-0826 / MK-826
- UNII
- 2T90KE67L0
- CAS Number
- 153773-82-1
- Weight
- Average: 497.5
Monoisotopic: 497.12326558 - Chemical Formula
- C22H24N3NaO7S
- InChI Key
- ZXNAQFZBWUNWJM-HRXMHBOMSA-M
- 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
- IUPAC Name
- sodium (2S,4S)-4-{[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl}-2-[(3-carboxyphenyl)carbamoyl]pyrrolidin-1-ium
- SMILES
- [Na+].[H][C@]12[C@@H](C)C(S[C@]3([H])C[NH2+][C@@]([H])(C3)C(=O)NC3=CC=CC(=C3)C([O-])=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O
- External Links
- KEGG Drug
- D04049
- ChemSpider
- 132760
- ChEBI
- 60070
- ChEMBL
- CHEMBL1232
- Wikipedia
- Ertapenem
- Predicted Properties
Property Value Source Water Solubility 0.0271 mg/mL ALOGPS logP 0.68 ALOGPS logP -3.2 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 3.22 Chemaxon pKa (Strongest Basic) 9.03 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 166.51 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 154.89 m3·mol-1 Chemaxon Polarizability 46.2 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon