Basic information
- CAS
98048-07-8- Standard SMILES
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@]2(NC=O)C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@@H]32)c2ccc(O)c(O)c2)C(=O)C1=O- InChIKey
BLHZPPIRNRDRSC-HSDAMQNGSA-N- Molecular formula
- C24H28N6O10S
- Average molar mass
- 592.6 g/mol
- Monoisotopic mass
- 592.15876228
Overview
Fomidacillin is a small molecule drug. The usage of the INN stem '-cillin' in the name indicates that Fomidacillin is a antibiotic, 6-aminopenicillanic acid derivative. Fomidacillin has a monoisotopic molecular weight of 592.16 Da.
Names & identifiers
- Preferred name
- Fomidacillin
- IUPAC
- (2S,5R,6R)-6-[[(2R)-2-(3,4-dihydroxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- English name
- Fomidacillin
- Molecular formula
- C24H28N6O10S
- Molecular weight
- 592.58
Names & synonyms
Fomidacillin98048-07-8FomidacilinaFomidacillineFomidacillinumFormidacillinFomidacilina [Spanish]Fomidacilline [French]Fomidacillinum [Latin]Fomidacillin [INN:BAN]UNII-9H7VJE7A17FOMIDACILLIN [INN]
Show more names
Imipenem 16(2S,5R,6R)-6-[[(2R)-2-(3,4-dihydroxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-(3,4-dihydroxyphenyl)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]acetyl]amino]-6-(formylamino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
Brl 36650Foramidocillin(2S,5R,6R)-6-((R)-2-(3,4-Dihydroxyphenyl)-2-(4-ethyl-2,3-dioxo-1-piperazinecarboxamido)acetamido)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acidFomidacillinum (Latin)Brl-366504-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3,4-dihydroxyphenyl)(((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)acetyl)amino)-6-(formylamino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2alpha,5alpha,6beta(S*)))-RefChem:141143sodium 6 beta-(D-2-(4-ethyl-2,3-dioxopiperazine-1-yl)carbonylamino)-2-(3,4-dihydroxyphenyl)acetamido-6 alpha-formamido-penicillinate
Database identifiers
- CAS
98048-07-8- PubChem CID
- 72025
- DTXSID
DTXSID301024779- ChEMBL
CHEMBL2105850- UNII
- 9H7VJE7A17
- Nikkaji
- J2.398.800C
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 251 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,170
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- pka
- 2.45 · 2.45±0.50(Predicted)
- FDA UNII
- 9 H7VJE7A17 · 9H7VJE7A17
Chemistry & industry
Applications
UsesFomidacillin is β-lactamase stable Penicillin derivative with antibacterial activity comparable to Imipenem (I465200), and Ceftazidime (C244100) antibiotics. Fomidacillin is also an analogue of Piperacillin (P479950), which is a broad spectrum semi-synthetic antibiotic.
Suppliers5 total
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳市健兴医药科技有限公司0755-28836405 18025430216
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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