dimethyltubocurarine (Q27271656)

UNII-947TXZ810I (English)

14 October 2016

chemical formula

C₃₉H₄₅N₂O₆⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC

1 reference

UNII-947TXZ810I (English)

14 October 2016

isomeric SMILES

CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC

1 reference

UNII-947TXZ810I (English)

InChI=1S/C39H45N2O6/c1-40-16-14-26-21-33(43-5)35-23-29(26)30(40)18-24-8-11-28(12-9-24)46-39-37-27(22-36(44-6)38(39)45-7)15-17-41(2,3)31(37)19-25-10-13-32(42-4)34(20-25)47-35/h8-13,20-23,30-31H,14-19H2,1-7H3/q+1/t30-,31+/m0/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-947TXZ810I (English)

GMAJRXOYQVZSRJ-IOWSJCHKSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-947TXZ810I (English)

14 October 2016

1 reference

UNII

947TXZ810I

dimethyltubocurarine (English)

14 October 2016

1 reference

(1beta)-6,6',7',12'-Tetramethoxy-2,2',2'-trimethyltubocuraran-2'-ium (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-947TXZ810I (English)

14 October 2016

1 reference

1 reference

UNII

947TXZ810I

dimethyltubocurarine (English)