Basic information
- CAS
89170-55-8- Standard SMILES
CN1CCN(CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c2ccc([N+](=O)[O-])cc2)CC1.Cl.Cl- InChIKey
XXRNBJXITIYIFQ-UHFFFAOYSA-N- Molecular formula
- C19H28Cl4N4O6
- Average molar mass
- 550.3 g/mol
- Monoisotopic mass
- 548.076295
Names & identifiers
- Preferred name
- Chloramphenicol 4-methyl-1-piperazinepropionate dihydrochloride hydrate
- IUPAC
- [2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 3-(4-methylpiperazin-1-yl)propanoate;dihydrochloride
Names & synonyms
89170-55-8Chloramphenicol 4-methyl-1-piperazinepropionate dihydrochloride hydrateM.G. 70241-Piperazinepropionic acid, 4-methyl-, alpha-ester with 2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)acetamide, dihydrochlorideRefChem:333661DTXSID6010086852,2-Dichloro-N-[1-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propanoyl]oxy}-1-(4-nitrophenyl)propan-2-yl]ethanimidic acid--hydrogen chloride (1/2)Dichloro-N-[1-hydroxy-3-{[3-(4-methylpiperazin-1-yl)propanoyl]oxy}-1-(4-nitrophenyl)propan-2-yl]ethanimidic acid--hydrogen chloride (1/2)
Database identifiers
- CAS
89170-55-8- PubChem CID
- 84010
- DTXSID
DTXSID601008685
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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