Basic information
- CAS
156769-21-0- Standard SMILES
CO[C@H]1CCC[C@H]2C1=C(C(=O)O)N1C(=O)[C@H]([C@@H](C)O)[C@@H]21- InChIKey
ICFDDEJRXZSWTA-KJFVXYAMSA-N- Molecular formula
- C14H19NO5
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.12632271
Overview
Sanfetrinem is a small molecule drug. Sanfetrinem has a monoisotopic molecular weight of 281.13 Da.
Names & identifiers
- Preferred name
- Sanfetrinem
- IUPAC
- (1S,5S,8aS,8bR)-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid
- English name
- Sanfetrinem
- Molecular formula
- C14H19NO5
- Molecular weight
- 281.3
Names & synonyms
Sanfetrinem156769-21-0(1S,5S,8aS,8bR)-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid0S36458I44GV 104326GV104326sanfetrinemum(1S,5S,8aS,8bR)-1-((1R)-1-hydroxyethyl)-5-methoxy-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto(1,2-b)isoindole-4-carboxylic acid4alpha-methoxy trinemRefChem:181137(4S,8S)-4-methoxy-(9R,lOS,12R)-lO-(l-hydroxyethyl)-11-0x0-1 azatricyclo(7.2.0.03,8)undec-2-enecarboxylateGV-104326
Show more names
Azeto[2,1-a]isoindole-4-carboxylic acid, 1,2,5,6,7,8,8a,8b-octahydro-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-, (1S,5S,8aS,8bR)-
Azeto[2,1-a]isoindole-4-carboxylicacid, 1,2,5,6,7,8,8a,8b-octahydro-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-,(1S,5S,8aS,8bR)-Sanfetrinem [INN:BAN]UNII-0S36458I44Sanfetrinem [WHO-DD]SANFETRINEM [INN]SCHEMBL75048CHEMBL316197orb1962252
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- Boiling point
- 536.1 · 536.1±50.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 4.68 · 4.68±0.60(Predicted)
- FDA UNII
- 0 S36458I44 · 0S36458I44
Chemistry & industry
Applications
UsesAntibacterial.
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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