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CHEBI:9774 - tubocurarine
| Formula | C37H41N2O6 |
| Net Charge | +1 |
| Average Mass | 609.743 |
| Monoisotopic Mass | 609.29591 |
| SMILES | [H][C@]12Cc3ccc(cc3)Oc3c(O)c(OC)cc4c3[C@@]([H])(Cc3ccc(O)c(c3)Oc3cc1c(cc3OC)CCN2C)[N+](C)(C)CC4 |
| InChI | InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1 |
| InChIKey | JFJZZMVDLULRGK-URLMMPGGSA-O |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | drug allergen Any drug which causes the onset of an allergic reaction. nicotinic antagonist An antagonist at the nicotinic cholinergic receptor. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | drug allergen Any drug which causes the onset of an allergic reaction. nicotinic antagonist An antagonist at the nicotinic cholinergic receptor. muscle relaxant A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| tubocurarine (CHEBI:9774) has parent hydride tubocuraran (CHEBI:36327) |
| tubocurarine (CHEBI:9774) has role drug allergen (CHEBI:88188) |
| tubocurarine (CHEBI:9774) has role muscle relaxant (CHEBI:51371) |
| tubocurarine (CHEBI:9774) has role nicotinic antagonist (CHEBI:48878) |
| tubocurarine (CHEBI:9774) is a bisbenzylisoquinoline alkaloid (CHEBI:133004) |
| IUPAC Name |
|---|
| 7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium |
| Synonyms | Source |
|---|---|
| Tubocurarine | KEGG COMPOUND |
| (+)-tubocurarine | ChemIDplus |
| 7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium | ChemIDplus |
| Tubocurarin | ChemIDplus |
| d-tubocurarine | ChEBI |
| Citations |
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