Completing data — usually done within a minute
Basic information
- Standard SMILES
C[C@]1(Cn2ccnn2)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C[C@H]2S1(=O)=O- InChIKey
PHGXFQIAGFMIHJ-NWSQWKLXSA-N- Molecular formula
- C23H22N4O5S
- Average molar mass
- 466.519 g/mol
- Monoisotopic mass
- 466.1310908
Names & identifiers
- Preferred name
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-, diphenylmethyl ester, 4,4-dioxide, (2S,3S,5R)-
- English name
- Tazobactam Diphenylmethyl Ester
- Molecular formula
- C23H22N4O5S
- Molecular weight
- 466.51
Names & synonyms
Tazobactam Impurity 38Tazobactam dimethyl esterTazobactam diphenyl esterTazobactam Acid Impurity 13Tazobactam Diphenylmethyl EsterDiphenylmethylTazobactamIntermediateTazobactamIntermediateDiphenylmethylEsterBenzhydry 2β-triazolmethyl-2α-methyl-6,6-dihydropernicilla...Benzhydry 2β-triazolmethyl-2α-methyl-6,6-dihydropernicillanate-1,1-dioxideBenzhydry 2β-triazolmethyl-2α-methyl-6,6-dihydropernicillanate-1,1-dioxide
Database identifiers
- CAS
89789-07-1- PubChem CID
- 11751671
- DTXSID
DTXSID001100413- EC Number
- 618-304-2
Properties
Physicochemical properties
- Boiling point
- 717.5 · 717.5±70.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 0.85 · 0.85±0.12(Predicted)
- Appearance
- White to off-white Solid
- InChIKey
- PHGXFQIAGFMIHJ-NWSQWKLXSA-N
- SMILES
- N12[C@@]([H])(CC1=O)S(=O)(=O)[C@@](C)(CN1C=CN=N1)[C@@H]2C(OC(C1=CC=CC=C1)C1=CC=CC=C1)=O
- REACH Registrations
- Active
Safety & regulation
Safety data
- REACH Registrations
- Active
Chemistry & industry
Applications
UsesTazobactam Diphenylmethyl Ester-15N3 is an intermediate used in the synthesis of Tazobactam Sodium Salt-15N3 (T010103), which is a labeled analogue of Tazobactam Sodium Salt (T010100), which is a β-Lactamase inhibitor, used with β-lactam antibiotics to enhance their effect.
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