beta-Ergocryptine

cas: 20315-46-2 — see every product listed under this CAS number, including other names

beta-Ergocryptine (CAS 20315-46-2) is a chemical reagent available from Chemat. Available pack sizes: on request, 25mg. Offered by: Chemat Brand, TRC.

brandChemat Brand
catalog numberULE552
cas20315-46-2
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

(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 (CAS 20315-46-2) is a chemical compound with the molecular formula C32H41N5O5 and a molecular weight of 575.7 g/mol. IUPAC name: (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. InChIKey: YYWXOXLDOMRDHW-SDMXVIBFSA-N.

Identity
Molecular formulaC32H41N5O5
Molecular weight575.7 g/mol
IUPAC name(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
InChIKeyYYWXOXLDOMRDHW-SDMXVIBFSA-N
SMILESCC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O

Computed by PubChem (NCBI)

Synonyms: beta-Ergocryptine, beta-Ergokryptine, .BETA.-ERGOCRYPTINE, .BETA.-ERGOKRYPTINE, .BETA.-ERGOCRYPTINE [MI], 5'alpha(S)-sec-Butyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione, 5'alpha-(butan-2-yl)-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)ergotaman, b-Ergocryptine, Bromocriptine Impurity 1, orb3024615
Related forms of this compound
(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
Isomers (same molecular formula)
(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
(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 C32H41N5O5

Also listed as

b-Ergocryptine Biosynth CAS 20315-46-2