Emetine

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Systematic / IUPAC Name: 6',7',10,11-Tetramethoxyemetan

ID: Reference2070

Other Names: Isoemetine, tetradehydro-

Formula: C29H40N2O4

Class: Therapeutics/Prescription Drugs Endogenous Metabolites Natural Products/Medicines

Spectral Data

Emetine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS ; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 207
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 1/22/2015 3:42:16 PM
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Identificators

InChI InChI=1S/C29H40N2O4/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
InChI Key AUVVAXYIELKVAI-UHFFFAOYSA-N
Canonical SMILES CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC
CAS 483181
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Other Names Isoemetine, tetradehydro-

In Other Databases

Wikipedia Emetine
ChemSpider 9055; 21239805
ChEMBL CHEMBL192858
PubChem 9426