Products 639-81-6
CAS 639-81-6 appears in our catalog under these names: Ergotaminine(controlled substance), Ergotaminine. Offered by: Chemat Brand, Dr. Ehrenstorfer, Biosynth. Available pack sizes: on request, 0,125mg, 0,25mg.
(6aR,9S)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CAS 639-81-6) is a chemical compound with the molecular formula C33H35N5O5 and a molecular weight of 581.7 g/mol. IUPAC name: (6aR,9S)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide. InChIKey: XCGSFFUVFURLIX-BRMNWJGKSA-N.
| Molecular formula | C33H35N5O5 |
|---|---|
| Molecular weight | 581.7 g/mol |
| IUPAC name | (6aR,9S)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
| InChIKey | XCGSFFUVFURLIX-BRMNWJGKSA-N |
| SMILES | C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C |
Computed by PubChem (NCBI)