9,10-Dihydro-beta-ergocryptine

cas: 19467-62-0 — see every product listed under this CAS number, including other names

9,10-Dihydro-beta-ergocryptine (CAS 19467-62-0) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-D450018-25MG
cas19467-62-0
size25mg
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Structural formula: {0} (CAS {1})

(6aR,9R,10aR)-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,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CAS 19467-62-0) is a chemical compound with the molecular formula C32H43N5O5 and a molecular weight of 577.7 g/mol. IUPAC name: (6aR,9R,10aR)-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,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide. InChIKey: SBFXHXZNBNFPHV-PSELOKDRSA-N.

Identity
Molecular formulaC32H43N5O5
Molecular weight577.7 g/mol
IUPAC name(6aR,9R,10aR)-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,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
InChIKeySBFXHXZNBNFPHV-PSELOKDRSA-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]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O

Computed by PubChem (NCBI)

Synonyms: beta-dihydroergocryptine, 9,10-Dihydro-?-ergocryptine, .BETA.-DIHYDROERGOCRYPTINE, DIHYDRO-.BETA.-ERGOCRYPTIN, .BETA.-ERGOCRYPTINE, DIHYDRO-, DIHYDROERGOCRYPTINE, BETA-ISOMER, DIHYDROERGOCRYPTINE, BETA-ISOMER [WHO-DD]
Related forms of this compound
(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-[(2R)-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,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C32H43N5O5
Isomers (same molecular formula)
(6aR,9R,10aR)-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,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C32H43N5O5