chempirical

Piperacillin sodium

C23H26N5NaO7SCAS 59703-84-3539.54 g/mol

Open in Covalent MOL file
NNOHNONHONSO−OOONa+
AmideCarboxylic acidLactamSulfide

Properties

Molecular formula
C23H26N5NaO7S
Molar mass
539.54 g/mol
Exact mass
539.1451 Da
Melting point
183–185 °C (decomposes)
logP
0.42Crippen estimate
Polar surface area
163.4 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
6
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
59703-84-3
SMILES
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C([O-])=O)c2ccccc2)C(=O)C1=O.[Na+]
InChIKey
HKKJNUJNRAREQR-IDYPWDAWSA-N
InChI
InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/t13-,14-,15+,20-;/m1./s1

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

Names and synonyms

8 names
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, sodium salt (1:1), (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, monosodium salt, (2S,5R,6R)-
  • T 1220
  • Sodium piperacillin
  • Piperacillin-na
  • Pentcillin
  • CL 227193

Work with Piperacillin sodium

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

Azlocillin sodium37091-65-974 % similar Carbenicillin disodium4800-94-663 % similar 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[[[[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, [2S-[2α,5α,6Β(S*)]]-59798-30-062 % similar Ampicillin sodium69-52-361 % similar Sulbenicillin sodium28002-18-859 % similar Penicillin G sodium69-57-854 % similar Ticarcillin disodium29457-07-652 % similar Ticillin4697-14-752 % similar

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

Elsewhere

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