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170912-52-4

170912-52-4 Structure

170912-52-4 Structure
IdentificationBack Directory
[Name]

DONITRIPTAN
[CAS]

170912-52-4
[Synonyms]

DONITRIPTAN
DONITRIPTANUM
Donitriptan hydrochloride
4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile
Benzonitrile, 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]-1-piperazinyl]-
1-[[[3-(2-Aminoethyl)-1H-indol-5-yl]oxy]acetyl]-4-(4-cyanophenyl)-piperazinehydrochloride
[Molecular Formula]

C23H25N5O2
[MDL Number]

MFCD09832566
[MOL File]

170912-52-4.mol
[Molecular Weight]

403.48
Chemical PropertiesBack Directory
[Boiling point ]

727.1±60.0 °C(Predicted)
[density ]

1.32±0.1 g/cm3(Predicted)
[storage temp. ]

Desiccate at RT
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

16.72±0.30(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

A novel 5-hydroxytryptamine (5-HT) derivative with potent, selective, and unique high intrinsic activity at 5-HT1B/1D receptors in models relevant to migraine. An antimigraine agent.
[Biological Activity]

Brain penetrant 5-HT 1B/1D agonist (pK i values are 9.3 and 9.4 for 5-HT 1D and 5-HT 1B respectively). Inhibits capsaicin-induced external carotid vasodilation and produces selective carotid vasoconstriction in various animal species. Displays antimigraine activity.
[IC 50]

5-HT1B Receptor: 9.4 (pKi); 5-HT1D Receptor: 9.3 (pKi)
Spectrum DetailBack Directory
[Spectrum Detail]

DONITRIPTAN(170912-52-4)1HNMR
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