Imipenem monohydrate
Properties
- Molecular formula
- C12H19N3O5S
- Molar mass
- 317.36 g/mol
- Exact mass
- 317.1045 Da
- logP
- -1.00Crippen estimate
- Polar surface area
- 145.2 Ų
- H-bond donors / acceptors
- 4 / 5
- Rotatable bonds
- 7
- Stereocentres
- R, S, Rin SMILES atom order
Identifiers
CAS number
74431-23-5SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12.OInChIKey
GSOSVVULSKVSLQ-JJVRHELESA-NInChI
InChI=1S/C12H17N3O4S.H2O/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2/t6-,7-,9-;/m1./s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-, hydrate (1:1), (5R,6S)-
- 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-, monohydrate, [5R-[5α,6α(R*)]]-
- 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-, monohydrate, (5R,6S)-
- N-Formimidoyl thienamycin monohydrate
Work with Imipenem monohydrate
Similar compounds
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Panipenem87726-17-849 % similar
Faropenem106560-14-938 % similar
Meropenem trihydrate119478-56-738 % similar
(4-Nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate98367-45-437 % similar
Tebipenem161715-21-535 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds