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Basic information
- CAS
59703-78-5- Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)C(NC(=O)N3CC(=O)NC(=O)C3)c3ccccc3)C(=O)N2[C@H]1C(=O)O- InChIKey
DUHMIUBGJVWIBF-KRWWSPQJSA-N- Molecular formula
- C21H23N5O7S
- Average molar mass
- 489.51 g/mol
- Monoisotopic mass
- 489.13181908
Names & identifiers
- Preferred name
- 6-[(1-Hydroxy-2-{[hydroxy(5-hydroxy-3-oxo-3,6-dihydropyrazin-1(2H)-yl)methylidene]amino}-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- (2S,5R,6R)-6-[(1-Hydroxy-2-{[hydroxy(5-hydroxy-3-oxo-3,6-dihydropyrazin-1(2H)-yl)methylidene]amino}-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- English name
- desethylpiperacillin
- Molecular formula
- C21H23N5O7S
- Molecular weight
- 489.5
Names & synonyms
desethylpiperacillin6α-[[(R)-(2,3-Dioxo-1-piperazinylcarbonylamino)phenylacetyl]amino]penicillanic acid4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[[(3,5-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]- (9CI)
Database identifiers
- CAS
59703-78-5- PubChem CID
- 162170
- DTXSID
DTXSID40975107
Properties
Physicochemical properties
- Boiling point
- 980.9 · 980.9±65.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 2.44 · 2.44±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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