emetine hydrochloride heptahydrate (Q27281245)

UNII-J636CC0C64 (English)

14 October 2016

chemical formula

C₂₉H₅₆Cl₂N₂O₁₁

1 reference

UNII-J636CC0C64 (English)

14 October 2016

canonical SMILES

CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.O.O.O.O.O.O.O.Cl.Cl

1 reference

UNII-J636CC0C64 (English)

14 October 2016

isomeric SMILES

CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.O.O.O.O.O.O.O.Cl.Cl

1 reference

UNII-J636CC0C64 (English)

InChI=1S/C29H40N2O4.2ClH.7H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;;;;;;;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;2*1H;7*1H2/t18-,21-,24+,25-;;;;;;;;;/m0........./s1

14 October 2016

Identifiers

InChI

1 reference

UNII-J636CC0C64 (English)

SFEHUASGOSYSBB-HPXHXMBCSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-J636CC0C64 (English)

14 October 2016

1 reference

UNII

J636CC0C64

emetine hydrochloride heptahydrate (English)

14 October 2016

1 reference

(1'beta)-6',7',10,11-Tetramethoxyemetan dihydrochloride heptahydrate (English)

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

UNII-J636CC0C64 (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

J636CC0C64

emetine hydrochloride heptahydrate (English)