Panipenem

C15H21N3O4SCAS 87726-17-8339.41 g/mol

Open in Covalent MOL file
HNNSOOHNOOH
AlcoholAlkeneAmideAmidineCarboxylic acidLactamSulfide

Properties

Molecular formula
C15H21N3O4S
Molar mass
339.41 g/mol
Exact mass
339.1253 Da
Melting point
198–200 °C (decomposes)
logP
0.70Crippen estimate
Polar surface area
104.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
4
Stereocentres
S, S, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
87726-17-8
SMILES
CC(=N)N1CC[C@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3C2)C1
InChIKey
TYMABNNERDVXID-DLYFRVTGSA-N
InChI
InChI=1S/C15H21N3O4S/c1-7(19)12-10-5-11(13(15(21)22)18(10)14(12)20)23-9-3-4-17(6-9)8(2)16/h7,9-10,12,16,19H,3-6H2,1-2H3,(H,21,22)/t7-,9+,10-,12-/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-3-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]thio]-7-oxo-, (5R,6S)-
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-[[1-(1-iminoethyl)-3-pyrrolidinyl]thio]-7-oxo-, [5R-[3(S*),5α,6α(R*)]]-
  • (5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • RS 533
  • CS 533

Work with Panipenem

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

Thienamycin59995-64-153 % similar Imipenem64221-86-951 % similar Imipenem monohydrate74431-23-549 % similar Tebipenem161715-21-542 % similar Faropenem106560-14-939 % similar Meropenem96036-03-237 % similar Meropenem trihydrate119478-56-735 % similar Doripenem148016-81-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook