alpha-Ergocryptine-d3

cas: 1794783-50-8 — see every product listed under this CAS number, including other names

alpha-Ergocryptine-d3 (CAS 1794783-50-8) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: TRC.

brandTRC
catalog numberTRC-E597502-10MG
cas1794783-50-8
size10mg
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Structural formula: {0} (CAS {1})

(6aR,9R)-N-[(1S,2S,4S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-(trideuteriomethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CAS 1794783-50-8) is a chemical compound with the molecular formula C32H41N5O5 and a molecular weight of 578.7 g/mol. IUPAC name: (6aR,9R)-N-[(1S,2S,4S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-(trideuteriomethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide. InChIKey: YDOTUXAWKBPQJW-MXASJVGLSA-N.

Identity
Molecular formulaC32H41N5O5
Molecular weight578.7 g/mol
IUPAC name(6aR,9R)-N-[(1S,2S,4S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-(trideuteriomethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
InChIKeyYDOTUXAWKBPQJW-MXASJVGLSA-N
SMILES[2H]C([2H])([2H])N1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N[C@@]5(C(=O)N6C(C(=O)N7CCC[C@H]7[C@@]6(O5)O)CC(C)C)C(C)C

Computed by PubChem (NCBI)

Synonyms: alpha-Ergocryptine-d3
Related forms of this compound
(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-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 C32H41N5O5
Isomers (same molecular formula)
(6aR,9S)-N-[(1S,2S,4R,7S)-7-[(2S)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-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 C32H41N5O5
(6aR,9R)-N-[(1S,2S,4R,7S)-7-[(2S)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-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 C32H41N5O5