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2490432-02-3

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2490432-02-3 Structure

2490432-02-3 Structure
IdentificationBack 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 PropertiesBack 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
Hazard InformationBack Directory
[Uses]

Bumetanide 3-(Butyl(nitroso)amino) is an impurity of Bumetanide(B689550). Bumetanide is a diuretic.
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