CHEBI:146000 - emetine dihydrochloride hydrate

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ChEBI Name emetine dihydrochloride hydrate
ChEBI ID CHEBI:146000
Definition A hydrate that is the monohydrate of the dihydrochloride salt of emetine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Yingtong Liu
Supplier Information
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Formula C29H40N2O4.H2O.ClH.ClH
Net Charge 0
Average Mass 571.580
Monoisotopic Mass 570.26273
InChI InChI=1S/C29H40N2O4.2ClH.H2O/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;1H2/t18-,21-,24+,25-;;;/m0.../s1
InChIKey IZTPMTAWOCEKKM-VXMYZLRESA-N
SMILES Cl.Cl.C=1C(=C(C=C2C1CCN3C[C@@H]([C@@](C[C@@]23[H])([H])C[C@@]4([H])NCCC=5C4=CC(=C(C5)OC)OC)CC)OC)OC.O
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
antiprotozoal drug
Any antimicrobial drug which is used to treat or prevent protozoal infections.
antiviral agent
A substance that destroys or inhibits replication of viruses.
autophagy inhibitor
Any compound that inhibits the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell).
protein synthesis inhibitor
A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein.
Application(s): antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
antiprotozoal drug
Any antimicrobial drug which is used to treat or prevent protozoal infections.
emetic
Any agent that induces nausea and vomiting.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing emetine dihydrochloride hydrate (CHEBI:146000) has part emetine dihydrochloride (CHEBI:149551)
emetine dihydrochloride hydrate (CHEBI:146000) has role anticoronaviral agent (CHEBI:149553)
emetine dihydrochloride hydrate (CHEBI:146000) has role antimalarial (CHEBI:38068)
emetine dihydrochloride hydrate (CHEBI:146000) has role antineoplastic agent (CHEBI:35610)
emetine dihydrochloride hydrate (CHEBI:146000) has role antiprotozoal drug (CHEBI:35820)
emetine dihydrochloride hydrate (CHEBI:146000) has role antiviral agent (CHEBI:22587)
emetine dihydrochloride hydrate (CHEBI:146000) has role autophagy inhibitor (CHEBI:88230)
emetine dihydrochloride hydrate (CHEBI:146000) has role emetic (CHEBI:149552)
emetine dihydrochloride hydrate (CHEBI:146000) has role protein synthesis inhibitor (CHEBI:48001)
emetine dihydrochloride hydrate (CHEBI:146000) is a hydrate (CHEBI:35505)
emetine dihydrochloride hydrate (CHEBI:146000) is a hydrochloride (CHEBI:36807)
IUPAC Name
(2S)-6',7',10,11-tetramethoxyemetan dihydrochloride—water (1/1)
Synonyms Sources
(2S)-6',7',10,11-tetramethoxyemetan dihydrochloride hydrate IUPAC
(2S)-6',7',10,11-tetramethoxyemetan-2',5-diium dichloride—water (1/1) IUPAC
emetine dihydrochloride monohydrate ChEBI
emetine hydrochloride hydrate ChemIDplus
Registry Numbers Types Sources
5216794 Reaxys Registry Number Reaxys
7083-71-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24107123 PubMed citation Europe PMC
28257497 PubMed citation Europe PMC
Last Modified
23 April 2020