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CHEBI:146000 - emetine dihydrochloride hydrate
| Formula | C29H40N2O4.H2O.2HCl |
| Net Charge | 0 |
| Average Mass | 571.586 |
| Monoisotopic Mass | 570.26273 |
| SMILES | Cl.Cl.O.[H][C@]1(C[C@@]2([H])NCCc3cc(OC)c(OC)cc32)C[C@@]2([H])c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC |
| 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 |
| Roles Classification |
|---|
| Biological Roles: | 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. protein synthesis inhibitor A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein. 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). anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. |
| Applications: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| emetine dihydrochloride monohydrate | ChEBI |
| (2S)-6',7',10,11-tetramethoxyemetan dihydrochloride hydrate | IUPAC |
| (2S)-6',7',10,11-tetramethoxyemetan-2',5-diium dichloride—water (1/1) | IUPAC |
| emetine hydrochloride hydrate | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5216794 | Reaxys |
| CAS:7083-71-8 | ChemIDplus |
| Citations |
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