metocurine chloride (Q5277349)

Dimethyltubocurarinium chloride (English)

17 November 2016

chemical formula

C₄₀H₄₈Cl₂N₂O₆

1 reference

Dimethyltubocurarinium chloride (English)

17 November 2016

canonical SMILES

C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[Cl-].[Cl-]

1 reference

Dimethyltubocurarinium chloride (English)

17 November 2016

isomeric SMILES

C[N+]1(CCC2=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)C.[Cl-].[Cl-]

1 reference

Dimethyltubocurarinium chloride (English)

InChI=1S/C40H48N2O6.2ClH/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1

17 November 2016

Identifiers

InChI

1 reference

Dimethyltubocurarinium chloride (English)

17 November 2016

1 reference

Global Substance Registration System

Dimethyltubocurarinium chloride (English)

17 November 2016

1 reference

metocurine chloride (English)

17 November 2016

1 reference

dimethyltubocurarinium chloride (English)

17 November 2016

2 references

Dimethyltubocurarinium chloride (English)

matched by identifier from

17 November 2016

1 reference

matched by identifier from

DIMETHYLTUBOCURARINIUM CHLORIDE (English)

17 November 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID801382976

0 references

EC number

251-461-1

1 reference

stated in

Global Substance Registration System

metocurine chloride (English)

ECHA Substance Infocard ID

17 November 2016

100.046.768

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.046.768

27 December 2018

Dimethyltubocurarinium chloride (English)

quotation

CAS no.: 33335-58-9 (English)

Global Substance Registration System

2 references

stated in

metocurine chloride (English)

matched by identifier from

17 November 2016