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emetine

Go to external page http://purl.obolibrary.org/obo/CHEBI_4781

A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions.

Term info

Label

emetine

Synonyms
  • 6',7',10,11-tetramethoxyemetan
  • Emetine
database cross reference
Subsets

3_STAR

IUPAC NAME
6',7',10,11-tetramethoxyemetan [ IUPAC ]

charge

0

formula

C29H40N2O4

has obo namespace

chebi_ontology

has related synonym

cephaeline methyl ether, Emetin, methyl cephaeline, Emetan

id

CHEBI:4781

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/t18-,21-,24+,25-/m0/s1

inchikey

AUVVAXYIELKVAI-CKBKHPSWSA-N

mass

480.63898

monoisotopicmass

480.29881

smiles

[H][C@]1(C[C@@]2([H])NCCc3cc(OC)c(OC)cc23)C[C@]2([H])N(CCc3cc(OC)c(OC)cc23)C[C@@H]1CC