Products 90650-44-5

CAS 90650-44-5 is the registry number for 8-Hydroxy Dihydro-Ergotamine (Mixture of Diastereomers). Offered by: Chemat Brand. Available pack sizes: on request.

8-Hydroxy Dihydro-Ergotamine (Mixture of Diastereomers)
Chemat Brand
  • size: on request
  • Variants: 1
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(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) is a chemical compound with the molecular formula C33H37N5O6 and a molecular weight of 599.7 g/mol. IUPAC name: (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.

Identity
Molecular formulaC33H37N5O6
Molecular weight599.7 g/mol
IUPAC name(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
InChIKeyAHRNWGXNCFKOII-LPTLNLBGSA-N
SMILESC[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

Computed by PubChem (NCBI)

Synonyms: 8'-Hydroxydihydroergotamine, 8'-Hydroxy Dihydro Ergotamine (Mixture of Diastereomers), 8'-Hydroxy Dihydroergotamine, 8'-Hydroxy-dihydroergotamine, 8-Hydroxy Dihydro-Ergotamine
Isomers (same molecular formula)
(6aR,9R,10aR)-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-7-oxido-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ium-9-carboxamide C33H37N5O6