CAS 90650-44-5 to numer rejestracyjny substancji 8-Hydroxy Dihydro-Ergotamine (Mixture of Diastereomers). Oferty producentów: Chemat Brand. Dostępne opakowania: on request.
(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2,10-dihydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CAS 90650-44-5) to związek chemiczny o wzorze sumarycznym C33H37N5O6 i masie molowej 599.7 g/mol. Nazwa systematyczna IUPAC: (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2,10-dihydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide. InChIKey: AHRNWGXNCFKOII-LPTLNLBGSA-N.
| Wzór sumaryczny | C33H37N5O6 |
|---|---|
| Masa molowa | 599.7 g/mol |
| Nazwa IUPAC | (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2,10-dihydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
| InChIKey | AHRNWGXNCFKOII-LPTLNLBGSA-N |
| SMILES | C[C@@]1(C(=O)N2[C@H](C(=O)N3[C@H]([C@@]2(O1)O)CCC3O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C |
Dane obliczone przez PubChem (NCBI)