Ergotaminine(controlled substance)

cas: 639-81-6 — see every product listed under this CAS number, including other names

Ergotaminine(controlled substance) (CAS 639-81-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRG-A260840
cas639-81-6
sizeon request
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purityNo data
delivery timeTo be confirmed by Chemat
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]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CAS 639-81-6) is a chemical compound with the molecular formula C33H35N5O5 and a molecular weight of 581.7 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]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide. InChIKey: XCGSFFUVFURLIX-BRMNWJGKSA-N.

Identity
Molecular formulaC33H35N5O5
Molecular weight581.7 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]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
InChIKeyXCGSFFUVFURLIX-BRMNWJGKSA-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@@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C

Computed by PubChem (NCBI)

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