Basic information
- CAS
78997-87-2- Standard SMILES
COC1(NC(=O)C(C(=O)O)c2ccc(O)cc2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)COC21- InChIKey
JWCSIUVGFCSJCK-UHFFFAOYSA-N- Molecular formula
- C20H20N6O9S
- Average molar mass
- 520.5 g/mol
- Monoisotopic mass
- 520.10124741
Names & identifiers
- Preferred name
- Latamoxef (stereochemistry undefined)
- IUPAC
- 7-[[2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
latamoxef (stereochemistry undefined)78997-87-2SCHEMBL49016DTXSID608608045-Oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-AKOS025311559Q130203447-[2-Carboxy(4-hydroxyphenyl)acetamido]-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-[2-Carboxy-2-(4-hydroxyphenyl)acetamido]-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Database identifiers
- CAS
78997-87-2- PubChem CID
- 3889
- DTXSID
DTXSID60860804- Nikkaji
- J19.504I
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 958
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[carboxy(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-: Environment tier I assessment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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