Name: Flurdihydroergotamine
Rating: 5 (10 reviews)

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HIT ID:HIT212712648
Cas No:1416417-27-0
常用名:Flurdihydroergotamine
IUPAC:(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-10-(trifluoromethyl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
IUPAC:(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-10-(trifluoromethyl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
InChI key:FNVRIGFDIUORGI-XEMULFGESA-N

分子式:C34H36F3N5O5
分子量:651.687
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:3.6908212
SMILES:[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c([nH]c6cccc(c56)[C@@]4([H])C3)C(F)(F)F)O[C@@]21O
SMILES:[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c([nH]c6cccc(c56)[C@@]4([H])C3)C(F)(F)F)O[C@@]21O

Flurdihydroergotamine, a serotonin 5HT1 receptor agonist, is used as an antimigraine drug.

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