Products 72170-28-6

CAS 72170-28-6 appears in our catalog under these names: 8-Hydroxyergotamine, 8-Hydroxy-9,10-dihydroergotamine. Offered by: Chemat Brand, TRC, Biosynth. Available pack sizes: on request, 25mg, 1mg.

8-Hydroxyergotamine
Chemat Brand, TRC
  • size: on request, 25mg
  • Variants: 2
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8-Hydroxy-9,10-dihydroergotamine
Biosynth
  • size: 1mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(6aR,9S)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-9-hydroxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (CAS 72170-28-6) is a chemical compound with the molecular formula C33H35N5O6 and a molecular weight of 597.7 g/mol. IUPAC name: (6aR,9S)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-9-hydroxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide. InChIKey: JGOTUAOHJNQELB-JVPLRJERSA-N.

Identity
Molecular formulaC33H35N5O6
Molecular weight597.7 g/mol
IUPAC name(6aR,9S)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-9-hydroxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
InChIKeyJGOTUAOHJNQELB-JVPLRJERSA-N
SMILESC[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@]5(CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C)O

Computed by PubChem (NCBI)

Synonyms: 8-Hydroxyergotamine, ERGOTAMINE TARTRATE IMPURITY A [EP IMPURITY], ERGOTAMINE TARTRATE IMPURITY A (EP IMPURITY), Ergotamine EP Impurity A, Ergotamine Tartrate EP Impurity A