Account Flurdihydroergotamine
- Catalog No. :
- ACWKVV044
- CAS No. :
- 1416417-27-0
- Molecular Formula :
- C34H36F3N5O5
- Molecular Weight :
- 651.69
IUPAC Name:(6aR,9R,10aR)-N-((2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-5-(trifluoromethyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
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Product Information
| Product Name | Flurdihydroergotamine |
|---|---|
| IUPAC Name | (6aR,9R,10aR)-N-((2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-5-(trifluoromethyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide |
| Molecular Formula | C34H36F3N5O5 |
| Molecular Weight | 651.69 |
| SMILES | O=C([C@H](C[C@]12[H])CN(C)[C@]2([H])CC3=C(C(F)(F)F)NC4=C3C1=CC=C4)N[C@@](O5)(C)C(N6[C@]5(O)[C@@](CCC7)([H])N7C([C@@H]6CC8=CC=CC=C8)=O)=O |
| InChI Key | FNVRIGFDIUORGI-XEMULFGESA-N |
| Synonym | Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-2-(trifluoromethyl)-, (5'α,10α)-;Flurdihydroergotamine |
| CAS No. | 1416417-27-0 |
Synthetic Route by SureRoute
2. ACWKVV044 Molecular Building Block Synthetic Route
(6aR,9R,10aR)-N-((2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide methanesulfonate
(6aR,9R,10aR)-N-((2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-isopropyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
methanesulfonic acid--(6aR,9R,10aR)-N-((2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide--2-(3,4-bis(2-hydroxyethoxy)phenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one (1/1/1)