Basic information
- CAS
100173-35-1- Standard SMILES
O=C(CN1CCCCC1)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc([N+](=O)[O-])cc1- InChIKey
FQRIZIBJPZHAIS-UHFFFAOYSA-N- Molecular formula
- C18H23Cl2N3O6
- Average molar mass
- 448.3 g/mol
- Monoisotopic mass
- 447.0963908
Names & identifiers
- Preferred name
- Chloramphenicol 1-piperidineacetate
- IUPAC
- [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 2-piperidin-1-ylacetate
Names & synonyms
Chloramphenicol 1-piperidineacetateBRN 0064116100173-35-14-20-00-01021 (Beilstein Handbook Reference)1-Piperidineacetic acid, alpha-ester with 2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)acetamideRefChem:333660DTXSID109052392,2-Dichloro-N-[1-hydroxy-1-(4-nitrophenyl)-3-{[(piperidin-1-yl)acetyl]oxy}propan-2-yl]ethanimidic acidDichloro-N-[1-hydroxy-1-(4-nitrophenyl)-3-{[(piperidin-1-yl)acetyl]oxy}propan-2-yl]ethanimidic acid
Database identifiers
- CAS
100173-35-1- PubChem CID
- 84013
- DTXSID
DTXSID10905239- Nikkaji
- J62.708I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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