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CHEBI:9939 - vecuronium
| Formula | C34H57N2O4 |
| Net Charge | +1 |
| Average Mass | 557.840 |
| Monoisotopic Mass | 557.43128 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@@]34[H])[C@@]1(C)C[C@H](N1CCCCC1)[C@@H](OC(C)=O)C2 |
| InChI | InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 |
| InChIKey | BGSZAXLLHYERSY-XQIGCQGXSA-N |
| Roles Classification |
|---|
| Biological Roles: | drug allergen Any drug which causes the onset of an allergic reaction. nicotinic antagonist An antagonist at the nicotinic cholinergic receptor. |
| 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. neuromuscular agent A drug used for its actions on skeletal muscle. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| vecuronium (CHEBI:9939) has parent hydride 5α-androstane (CHEBI:28859) |
| vecuronium (CHEBI:9939) has role drug allergen (CHEBI:88188) |
| vecuronium (CHEBI:9939) has role muscle relaxant (CHEBI:51371) |
| vecuronium (CHEBI:9939) has role neuromuscular agent (CHEBI:51372) |
| vecuronium (CHEBI:9939) has role nicotinic antagonist (CHEBI:48878) |
| vecuronium (CHEBI:9939) is a acetate ester (CHEBI:47622) |
| vecuronium (CHEBI:9939) is a androstane (CHEBI:35509) |
| vecuronium (CHEBI:9939) is a quaternary ammonium ion (CHEBI:35267) |
| Incoming Relation(s) |
| vecuronium bromide (CHEBI:9940) has part vecuronium (CHEBI:9939) |
| IUPAC Name |
|---|
| (2β,3α,5α,16β,17β)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7173466 | Reaxys |
| CAS:86029-43-8 | ChemIDplus |
| Citations |
|---|