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ergometrine

Properties

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Occurences in reactions

MNX_ID

MNXM727557

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₉H₂₃N₃O₂

charge

mass

325.17903

reference

chebi:4822

InChIKey

WVVSZNPYNCNODU-XTQGRXLLSA-N

InChI

InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1

SMILES

C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:4822 chebi:4822	ergometrine (6aR,9R)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((S)-2-hydroxy-1-methyl-ethyl)-amide 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(S)-carboxamide 9,10-didehydro-N-(alpha-(hydroxymethyl)ethyl)-6-methylergoline-8-beta-carboxamide D-lysergic acid 1-hydroxymethylethylamide D-lysergic acid-L-propanolamide Ergometrine Ergonovine N-(2-Hydroxy-1-methylethyl)-D-(+)-lysergamide N-(alpha-(hydroxymethyl)ethyl)-D-lysergamide N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8beta-carboxamide [8beta(S)]-9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide ergobasine ergometrina ergometrinum ergotocine margonovine
kegg.drug:D07905 keggD:D07905	Ergometrine (INN)
hmdb:HMDB0015383	Ergonovine (4R,7R)-N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide (6AR,9R)-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-FG]quinoline-9-carboxylate ((S)-2-hydroxy-1-methyl-ethyl)-amide (6AR,9R)-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-FG]quinoline-9-carboxylic acid ((S)-2-hydroxy-1-methyl-ethyl)-amide 9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8b(S)-carboxamide 9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(S)-carboxamide 9,10-Didehydro-N-(a-(hydroxymethyl)ethyl)-6-methylergoline-8-b-carboxamide 9,10-Didehydro-N-(alpha-(hydroxymethyl)ethyl)-6-methylergoline-8-beta-carboxamide Bedford brand OF ergonovine maleate D-Lysergate 1-hydroxymethylethylamide D-Lysergate-L-propanolamide D-Lysergic acid 1-hydroxymethylethylamide D-Lysergic acid-L-propanolamide Ergobasin Ergobasine Ergometrin Ergometrina Ergometrine Ergometrine maleate Ergometrinum Ergonovine maleate Ergotocine Ergotrate Ergotrate maleate Margonovine N-(2-Hydroxy-1-methylethyl)-D-(+)-lysergamide N-(a-(Hydroxymethyl)ethyl)-D-lysergamide N-(alpha-(Hydroxymethyl)ethyl)-D-lysergamide N-(alpha-(hydroxymethyl)ethyl)-D-lysergamide [8b(S)]-9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide [8beta(S)]-9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide [8beta(S)]-9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide ergonovine
kegg.compound:C07543 keggC:C07543	Ergonovine Ergometrine
seed.compound:cpd04713 seedM:cpd04713	Ergonovine Ergometrine ergometrine
CHEBI:91849 chebi:91849	N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
metacyc.compound:CPD-14457 metacycM:CPD-14457	ergometrine
hmdb:HMDB15383 chebi:296351 keggC:M_C07543 keggD:M_D07905 seedM:M_cpd04713	secondary/obsolete/fantasy identifier