Ergometrine impurity mixture CRS

cas: 113-42-8 — see every product listed under this CAS number, including other names

Ergometrine impurity mixture CRS (CAS 113-42-8) is a chemical reagent available from Chemat. Available pack sizes: -. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog numberY0002170
cas113-42-8
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Available pack sizes

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Sigma-Aldrich - 669.30 Pln
Structural formula: {0} (CAS {1})

(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is an ergoline alkaloid.

Source: ChEBI

Identity
Molecular formulaC20H25N3O2
Molecular weight339.4 g/mol
IUPAC name(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
InChIKeyUNBRKDKAWYKMIV-QWQRMKEZSA-N
SMILESCC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C

Computed by PubChem (NCBI)

Synonyms: methylergonovine, Methylergometrine, Methylergobasin, Methylergobasine, Methylergobrevin, Methylergometrin, Methylergonovin, Partergin, Basofortina, Ergotyl
Related forms of this compound
(6aR,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C20H25N3O2
(6aR,9R)-N-[(2R)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C20H25N3O2
Isomers (same molecular formula)
tert-butyl 6-(5-cyanospiro[2.3]hexan-5-yl)-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate C20H25N3O2
N-(1-hydroxybutan-2-yl)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C20H25N3O2
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2,6-dimethylphenyl)acetamide C20H25N3O2
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea C20H25N3O2
[3-(hydroxymethyl)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepin-2-yl]methanol C20H25N3O2
2-(benzotriazol-2-yl)-5-octoxyphenol C20H25N3O2
(6aR,9R)-N-ethyl-N-(2-hydroxyethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C20H25N3O2
4-amino-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide C20H25N3O2
7-(benzylamino)-3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione C20H25N3O2
5-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)pentanamide C20H25N3O2

Also listed as

Methylergonovine (Methylergometrine) Chemat Brand CAS 113-42-8
Methylergometrine Chemat Brand CAS 113-42-8