Products 8006-25-5

CAS 8006-25-5 is the registry number for Ergtoxin-1. Offered by: Biosynth. Available pack sizes: 1mg.

Ergtoxin-1
Biosynth
  • size: 1mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(6aR,9R)-N-[(1S,2S,4R)-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 8006-25-5) is a chemical compound with the molecular formula C28H33N5O5 and a molecular weight of 519.6 g/mol. IUPAC name: (6aR,9R)-N-[(1S,2S,4R)-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: XLMJRFCCCWFQRE-SJRQCXNHSA-N.

Identity
Molecular formulaC28H33N5O5
Molecular weight519.6 g/mol
IUPAC name(6aR,9R)-N-[(1S,2S,4R)-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
InChIKeyXLMJRFCCCWFQRE-SJRQCXNHSA-N
SMILESCC(C)[C@@]1(C(=O)N2CC(=O)N3CCC[C@H]3[C@@]2(O1)O)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C

Computed by PubChem (NCBI)

Synonyms: Ecboline, ERGOTOXINE, Ergotoxin, 2'beta-Isopropylergopeptine, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-, (5'alpha)-, 12'-Hydroxy-3',6',18-trioxo-2'-(propan-2-yl)ergotaman