Meropenem

C₁₇H₂₅N₃O₅SCAS 96036-03-2383.46 g/mol

Open in Covalent MOL file

Alcohol Alkene Amide Carboxylic acid Lactam Secondary amine Sulfide

Properties

Molecular formula: C₁₇H₂₅N₃O₅S
Molar mass: 383.46 g/mol
Exact mass: 383.1515 Da
logP: -0.31Crippen estimate
Polar surface area: 110.2 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 5
Stereocentres: R, S, S, S, R, Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation76.9% of notifiers
H317 May cause an allergic skin reaction23.1% of notifiers
H319 Causes serious eye irritation76.9% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled23.1% of notifiers
H335 May cause respiratory irritation76.9% of notifiers

Aggregated from 13 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

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

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.

Meropenem trihydrate119478-56-7Hydrate

Similar compounds

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 Protected meropenem96036-02-141 % similar Faropenem106560-14-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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