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M  END
> <ID>
CHEBI:149634

> <NAME>
dehydroemetine

> <DEFINITION>
A pyridoisoquinoline which was developed in response to the cardiovascular toxicity associated with emetine and results from the dehydrogenation of the heterotricylic ring of emetine. It is an antiprotozoal agent and displays antimalarial, antiamoebic, and antileishmanial properties.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4363

> <SYNONYM>
Ro-1933419; Ro-1-9334/19; Ro 1-9334/19; Ro 1-9334; BT 436; 2-dehydroemetine; 2,3-didehydroemetine; 2,3-didehydro-6',7',10,11-tetramethoxyemetan; (-)-R,S-dehydroemetine; (-)-2,3-dehydroemetine

> <IUPAC_NAME>
6',7',10,11-tetramethoxy-2,3-didehydroemetan

> <INN>
dehydroemetinum; dehydroemetine; dehydroemetine; dehidroemetina

> <BRAND_NAME>
Mebadine; Mebadin; Dametin

> <FORMULA>
C29H38N2O4

> <MASS>
478.633

> <MONOISOTOPIC_MASS>
478.28316

> <CHARGE>
0

> <SMILES>
[C@H]1(C2=C(C=C(OC)C(=C2)OC)CCN1)CC=3C[C@]4(C=5C=C(OC)C(OC)=CC5CCN4CC3CC)[H]

> <INCHI>
InChI=1S/C29H38N2O4/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/h13-16,24-25,30H,6-12,17H2,1-5H3/t24-,25+/m1/s1

> <INCHIKEY>
XXLZPUYGHQWHRN-RPBOFIJWSA-N

> <CAS_REGISTRY_NUMBER>
4914-30-1

> <CHEMIDPLUS>
4914-30-1

> <DRUGBANK_ACCESSION>
DB13865

> <KEGG_COMPOUND_ACCESSION>
C07996

> <KEGG_DRUG_ACCESSION>
D00828

> <WIKIPEDIA_ACCESSION>
Dehydroemetine

> <PUBMED_CITATION>
13749080; 13990811; 13991475; 14040651; 14292163; 14482399; 16732; 19879; 2202709; 2565955; 2887439; 31964796; 4113710; 4394757; 4401314; 4716643; 4916834; 6041197

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