| Identification | Back Directory | [Name]
Bumetanide Impurity 6 | [CAS]
1236290-34-8 | [Synonyms]
Bumetanide Impurity 6
3-(Aminosulfonyl)-5-(dibutylamino)-4-phenoxybenzoic acid | [Molecular Formula]
C21H28N2O5S | [MOL File]
1236290-34-8.mol | [Molecular Weight]
420.52 |
| Chemical Properties | Back Directory | [Boiling point ]
597.6±60.0 °C(Predicted) | [density ]
1.242±0.06 g/cm3(Predicted) | [pka]
3.19±0.10(Predicted) | [InChI]
InChI=1S/C21H28N2O5S/c1-3-5-12-23(13-6-4-2)18-14-16(21(24)25)15-19(29(22,26)27)20(18)28-17-10-8-7-9-11-17/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,24,25)(H2,22,26,27) | [InChIKey]
MYCDGAQAFHMODN-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(N(CCCC)CCCC)=C(OC2=CC=CC=C2)C(S(N)(=O)=O)=C1 |
| Hazard Information | Back Directory | [Uses]
3-(Aminosulfonyl)-5-(dibutylamino)-4-phenoxybenzoic acid is a byproduct of a one pot synthesis of Bumetanide, a loop diuretic used to treat heart failure. |
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