2-Bromo-beta-alpha-ergoannine

cas: 157135-99-4 — see every product listed under this CAS number, including other names

2-Bromo-beta-alpha-ergoannine (CAS 157135-99-4) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: TRC.

brandTRC
catalog numberTRC-B157130-10MG
cas157135-99-4
size10mg
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Structural formula: {0} (CAS {1})

5-bromo-N-[4-butan-2-yl-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-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 157135-99-4) is a chemical compound with the molecular formula C33H42BrN5O5 and a molecular weight of 668.6 g/mol. IUPAC name: 5-bromo-N-[4-butan-2-yl-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-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: ASOWEWSDVNNGEA-UHFFFAOYSA-N.

Identity
Molecular formulaC33H42BrN5O5
Molecular weight668.6 g/mol
IUPAC name5-bromo-N-[4-butan-2-yl-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-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
InChIKeyASOWEWSDVNNGEA-UHFFFAOYSA-N
SMILESCCC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C

Computed by PubChem (NCBI)

Synonyms: 2-Bromo-beta-alpha-ergoannine
Isomers (same molecular formula)
(9R)-5-bromo-N-[(2S,4R,7S)-2-methoxy-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 C33H42BrN5O5
(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylbutyl)-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 C33H42BrN5O5