Products 157135-98-3

CAS 157135-98-3 is the registry number for Bromocriptine 2-Methylbutyl Analogue. Offered by: TRC. Available pack sizes: 25mg.

Bromocriptine 2-Methylbutyl Analogue
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(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 (CAS 157135-98-3) is a chemical compound with the molecular formula C33H42BrN5O5 and a molecular weight of 668.6 g/mol. IUPAC name: (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. InChIKey: TVBBCSQOKZWQOY-MPQDIVPXSA-N.

Identity
Molecular formulaC33H42BrN5O5
Molecular weight668.6 g/mol
IUPAC name(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
InChIKeyTVBBCSQOKZWQOY-MPQDIVPXSA-N
SMILESCCC(C)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=C(NC7=CC=CC(=C67)C5=C4)Br)C)O

Computed by PubChem (NCBI)

Synonyms: Bromocriptine 2-Methylbutyl Analogue, Bromocriptine Impurity 18
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
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 C33H42BrN5O5