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6,8-dimethyl-6,7-didehydroergoline

MNXM97125 is deprecated and replaced by MNXM1100301

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100301

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₁₆H₁₉N₂

charge

mass

239.15428

reference

InChIKey

FGVUDRMBAMEJCE-SKNXHYNKSA-N

InChI

InChI=1S/C16H19N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8-10,13,15,17H,6-7H2,1-2H3/q+1/t10?,13-,15-/m1/s1

SMILES

CC1C=[N+](C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65034 chebi:65034	6,8-dimethyl-6,7-didehydroergoline (2R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),5,9,12,14-pentaen-6-ium 6,8-dimethyl-6,7-didehydroergolin-6-ium
kegg.compound:C20409 keggC:C20409	6,8-Dimethyl-6,7-didehydroergoline
seed.compound:cpd31090 seedM:cpd31090	6,8-Dimethyl-6,7-didehydroergoline (2R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),5,9,12,14-pentaen-6-ium 6,8-dimethyl-6,7-didehydroergoline
metacyc.compound:CPD-14466 metacycM:CPD-14466	6,8-dimethyl-6,7-didehydroergoline (2R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),5,9,12,14-pentaen-6-ium
chebi:65033 keggC:M_C20409 seedM:M_cpd31090	secondary/obsolete/fantasy identifier