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lergotrile

PropertiesImageOccurences in reactions
MNX_IDMNXM59913Image of MNXM59913
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC17H18ClN3
charge0
mass299.11893
referencechebi:177579
InChIKeyJKAHWGPTNVUTNB-IXPVHAAZSA-N
InChIInChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3/t10-,12-,15-/m1/s1
SMILESCN1C[C@H](CC#N)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:177579
chebi:177579 		lergotrile
2-[(6aR,9S,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-g]quinolin-9-yl]acetonitrile
kegg.drug:D04693
keggD:D04693 		Lergotrile (USAN/INN)
keggD:M_D04693 secondary/obsolete/fantasy identifier