Basic information
- CAS
51154-48-4- Standard SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1- InChIKey
BSIJLJGDLNRGBY-NXWNEQKCSA-N- Molecular formula
- C26H28ClN3O6S
- Average molar mass
- 546 g/mol
- Monoisotopic mass
- 545.1387345
Overview
Fibracillin is a small molecule drug. The usage of the INN stem '-cillin' in the name indicates that Fibracillin is a antibiotic, 6-aminopenicillanic acid derivative. Fibracillin has a monoisotopic molecular weight of 545.14 Da.
Names & identifiers
- Preferred name
- Fibracillin
- IUPAC
- (2S,5R,6R)-6-[[(2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- English name
- fibracillin
- Molecular formula
- C26H28ClN3O6S
- Molecular weight
- 546.041
Names & synonyms
Fibracillin51154-48-4Fibracillin [INN]FibracilinaFibracilline(2S,5R,6R)-6-[[(2R)-2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidVSM36G5OTKFibracillinumD-6-(2-(2-(p-Chlorophenoxy)-2-methylpropionamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acidUNII-VSM36G5OTKFibracilina [INN-Spanish]Fibracilline [INN-French]
Show more names
Mitibron6α-[[(R)-[[2-(p-Chlorophenoxy)-2-methyl-1-oxopropyl]amino]phenylacetyl]amino]penicillanic acid4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
Fibracillinum [INN-Latin]EINECS 257-021-5FIBRACILLIN [MART.]FIBRACILLIN [WHO-DD]orb1709700SCHEMBL2109500CHEMBL4594226DTXSID90199179
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 916
Physicochemical properties
- Boiling point
- 868.2 · 868.2±65.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 2.44 · 2.44±0.50(Predicted)
- FDA UNII
- 36 G5OTK · VSM36G5OTK
Chemistry & industry
Applications
UsesFibracillin is a penicillin antibiotic.
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
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Compound notes
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