chempirical

Meropenem

C17H25N3O5SCAS 96036-03-2383.46 g/mol

Open in Covalent MOL file
OHONOHOSNHON
AlcoholAlkeneAmideCarboxylic acidLactamSecondary amineSulfide

Properties

Molecular formula
C17H25N3O5S
Molar mass
383.46 g/mol
Exact mass
383.1515 Da
logP
-0.31Crippen estimate
Polar surface area
110.2 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
5
Stereocentres
R, S, S, S, R, Sin SMILES atom order

Identifiers

CAS number
96036-03-2
SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12
InChIKey
DMJNNHOOLUXYBV-PQTSNVLCSA-N
InChI
InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1

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Names and synonyms

13 names · show all
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4R,5S,6S)-
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-, [4R-[3(3S*,5S*),4α,5β,6β(R*)]]-
  • (4R,5S,6S)-3-[[(3S,5S)-5-[(Dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • ICI 194660
  • SM 7338
  • Antibiotic SM 7338
  • Meropen
  • Meronem
  • Merrem IV
  • Merrem
  • Mepem
  • Monan
  • Meroxan

Work with Meropenem

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Meropenem trihydrate119478-56-795 % similar Doripenem148016-81-365 % similar Doripenem hydrate364622-82-263 % similar Ertapenem153832-46-362 % similar Tebipenem161715-21-556 % similar Ertapenem sodium153773-82-150 % similar Biapenem120410-24-442 % similar Faropenem106560-14-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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