| Identification | Back Directory | [Name]
2-Thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, (4-nitrophenyl)methyl ester, (1S,4S)- | [CAS]
151072-00-3 | [Synonyms]
Meropenem Impurity 26
Meropenem impurity TN-1
4-nitrobenzyl (1S,4S)-3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate
(1S,4S)-4-nitrobenzyl 6-oxo-5-thia-2-aza-bicyclo[2.2.1]heptane-2-carboxylate
2-Thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, (4-nitrophenyl)methyl ester, (1S,4S)- | [Molecular Formula]
C13H12N2O5S | [MDL Number]
MFCD34596699 | [MOL File]
151072-00-3.mol | [Molecular Weight]
308.31 |
| Chemical Properties | Back Directory | [Boiling point ]
543.8±50.0 °C(Predicted) | [density ]
1.523±0.06 g/cm3(Predicted) | [pka]
-1.44±0.20(Predicted) | [InChI]
InChI=1S/C13H12N2O5S/c16-12-11-5-10(21-12)6-14(11)13(17)20-7-8-1-3-9(4-2-8)15(18)19/h1-4,10-11H,5-7H2/t10-,11-/m0/s1 | [InChIKey]
UCDOMXQZYYKAEQ-QWRGUYRKSA-N | [SMILES]
[C@]12([H])C[C@]([H])(N(C(OCC3=CC=C([N+]([O-])=O)C=C3)=O)C1)C(=O)S2 |
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