Molecular Identity
piperacillin
(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID: 43672
Piperacillin is a penicillin in which the substituent at position 6 of the penam ring is a 2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido group. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of a piperacillin(1-).
2D Structure
Properties
C23H27N5O7S
Molecular Formula
517.60
Molecular Weight
g/mol
517.1631
Exact Mass
Da
0.5
XLogP
Drug-like (Lipinski: < 5)
182
TPSA
May have limited oral absorption
3
H-Bond Donors
8
H-Bond Acceptors
982
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
piperacillin61477-96-1Piperacillin anhydrousPiperacillinePipercillinPiperacilinaPeracinPiperacillinaPiperacillinumPIPCCHEBI:8232(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid9I628532GXDTXSID2023482
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to piperacillin
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