Molecular Identity
Amdinocillin
(2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID: 36273
Mecillinam is a penicillin in which the 6beta substituent is [(azepan-1-yl)methylidene]amino; an extended-spectrum penicillin antibiotic that binds specifically to penicillin binding protein 2 (PBP2), and is only considered to be active against Gram-negative bacteria. It has a role as an antiinfective agent and an antibacterial drug.
2D Structure
Properties
C15H23N3O3S
Molecular Formula
325.40
Molecular Weight
g/mol
325.1460
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
98.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
500
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)O)CIsomeric SMILES
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)O)CSynonyms(20)
AMDINOCILLINPenicillin HXCoactinSelexidinFL 1060Ro 10-9070FL-1060DTXSID3022584Ro-10-9070SELECIDINV10579P3QZ4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-FL1060RefChem:56292DTXCID901511053
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Amdinocillin
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