chempirical

Imipenem

C12H17N3O4SCAS 64221-86-9299.35 g/mol

Open in Covalent MOL file
OHONOHOSNHNH
AlcoholAlkeneAmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C12H17N3O4S
Molar mass
299.35 g/mol
Exact mass
299.0940 Da
logP
-0.18Crippen estimate
Polar surface area
113.7 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
7
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
64221-86-9
SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12
InChIKey
ZSKVGTPCRGIANV-ZXFLCMHBSA-N
InChI
InChI=1S/C12H17N3O4S/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)/t6-,7-,9-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-, (5R,6S)-
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-, [5R-[5α,6α(R*)]]-
  • (5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • MK 0787
  • N-Formimidoylthienamycin
  • Imipemide
  • Tienamycin
  • Imipenen

Work with Imipenem

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

Imipenem monohydrate74431-23-594 % similar Thienamycin59995-64-168 % similar Imipenem-cilastatin mixt.92309-29-056 % similar Panipenem87726-17-851 % similar Faropenem106560-14-939 % 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-carboxylate98367-45-438 % similar Tebipenem161715-21-536 % similar Meropenem96036-03-235 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook