Basic information
- CAS
76567-25-4- Standard SMILES
COC(=O)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1- InChIKey
SXSTYIIJPIULIX-NXEZZACHSA-N- Molecular formula
- C12H14N2O7
- Average molar mass
- 298.25 g/mol
- Monoisotopic mass
- 298.08010079
Overview
major metabolite of chloramphenicol in rats
Names & identifiers
- Preferred name
- Chloramphenicol oxamic acid
- IUPAC
- methyl 2-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoacetate
- English name
- chloramphenicol oxamic acid
- Molecular formula
- C12H14N2O7
- Molecular weight
- 298.25
Names & synonyms
Chloramphenicol oxamic acid76567-25-4Acetic acid, ((2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)amino)oxo-, methyl ester, (R-(R*,R*))-RefChem:125271methyl 2-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoacetateDTXSID40997905Methyl {[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}(oxo)acetatemethyl {[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}(oxo)acetateAcetic acid, [[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]oxo-, methyl ester, [R-(R*,R*)]- (9CI)
Database identifiers
- CAS
76567-25-4- PubChem CID
- 84004
- DTXSID
DTXSID40997905- Nikkaji
- J3.032.137E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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