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Avitriptan fumarate (USAN)

PropertiesImageOccurences in reactions
MNX_IDMNXM43069Image of MNXM43069
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC26H34N6O7S
charge0
mass574.22097
referencekeggD:D03014
InChIKeyFMXXORRZIQGUIN-WLHGVMLRSA-N
InChIInChI=1S/C22H30N6O3S.C4H4O4/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22;5-3(6)1-2-4(7)8/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
SMILESCNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(c4ncncc4OC)CC3)c2c1.O=C(O)/C=C/C(=O)O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
kegg.drug:D03014
keggD:D03014
Avitriptan fumarate (USAN)
keggD:M_D03014 secondary/obsolete/fantasy identifier