monodesmethyl sumatriptan maleate (Q27287754)

UNII-R3R77003CE (English)

14 October 2016

chemical formula

C₁₇H₂₃N₃O₆S

1 reference

UNII-R3R77003CE (English)

14 October 2016

canonical SMILES

CNCCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)NC.C(=CC(=O)O)C(=O)O

1 reference

UNII-R3R77003CE (English)

InChI=1S/C13H19N3O2S.C4H4O4/c1-14-6-5-11-8-16-13-4-3-10(7-12(11)13)9-19(17,18)15-2;5-3(6)1-2-4(7)8/h3-4,7-8,14-16H,5-6,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

14 October 2016

isomeric SMILES

CNCCc1c[nH]c2ccc(CS(=O)(=O)NC)cc12.O=C(O)/C=C\C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

1 reference

UNII-R3R77003CE (English)

UNFGYTNEFPAGQV-BTJKTKAUSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-R3R77003CE (English)

14 October 2016

1 reference

UNII

R3R77003CE

monodesmethyl sumatriptan maleate (English)

14 October 2016

1 reference

N-Methyl-1-{3-[2-(methylamino)ethyl]-1H-indol-5-yl}methanesulfonamide (2Z)-2-butenedioate (1:1) (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-R3R77003CE (English)

14 October 2016

1 reference

1 reference

UNII

R3R77003CE

monodesmethyl sumatriptan maleate (English)