| Identification | Back Directory | [Name]
Benzoic acid, 3-(aminosulfonyl)-5-(butylnitrosoamino)-4-phenoxy- | [CAS]
2490432-02-3 | [Synonyms]
Bumetanide 3-(Butyl(nitroso)amino)
Benzoic acid, 3-(aminosulfonyl)-5-(butylnitrosoamino)-4-phenoxy- | [Molecular Formula]
C17H19N3O6S | [MOL File]
2490432-02-3.mol | [Molecular Weight]
393.41 |
| Chemical Properties | Back Directory | [Melting point ]
>76°C (dec.) | [Boiling point ]
634.6±65.0 °C(Predicted) | [density ]
1.40±0.1 g/cm3(Predicted) | [storage temp. ]
-20°C Freezer, Under inert atmosphere | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
3.45±0.10(Predicted) | [color ]
Pale Yellow to Light Yellow | [InChI]
InChI=1S/C17H19N3O6S/c1-2-3-9-20(19-23)14-10-12(17(21)22)11-15(27(18,24)25)16(14)26-13-7-5-4-6-8-13/h4-8,10-11H,2-3,9H2,1H3,(H,21,22)(H2,18,24,25) | [InChIKey]
PYLMCQWIQTYALH-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC(N(CCCC)N=O)=C(OC2=CC=CC=C2)C(S(N)(=O)=O)=C1 |
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