Ertapenem sodium
Properties
- Molecular formula
- C22H24N3NaO7S
- Molar mass
- 497.50 g/mol
- Exact mass
- 497.1233 Da
- logP
- 1.21Crippen estimate
- Polar surface area
- 159.8 Ų
- H-bond donors / acceptors
- 5 / 7
- Rotatable bonds
- 7
- Stereocentres
- R, S, S, S, R, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
153773-82-1SMILES
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
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, sodium salt (1:1), (4R,5S,6S)-
- 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-, monosodium salt, [4R-[3(3S*,5S*),4α,5β,6β(R*)]]-
- 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, monosodium salt, (4R,5S,6S)-
- L 749345
- MK 826
- Invanz
- Ertapenem monosodium
Work with Ertapenem sodium
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Meropenem96036-03-250 % similar
Meropenem trihydrate119478-56-748 % similar
Biapenem120410-24-445 % similar
Doripenem148016-81-342 % similar
Doripenem hydrate364622-82-241 % similar
Faropenem sodium122547-49-336 % similar
Tebipenem161715-21-535 % similar
Protected meropenem96036-02-135 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.