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CHEBI:8885 - rocuronium bromide
| Formula | Br.C32H53N2O4 |
| Net Charge | 0 |
| Average Mass | 609.690 |
| Monoisotopic Mass | 608.31887 |
| SMILES | [Br-].[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@@H]([N+]5(CC=C)CCCC5)C[C@@]34[H])[C@@]1(C)C[C@H](N1CCOCC1)[C@@H](O)C2 |
| InChI | InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1 |
| InChIKey | OYTJKRAYGYRUJK-FMCCZJBLSA-M |
| Wikipedia |
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| Roles Classification |
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| Biological Role: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. |
| Applications: | neuromuscular agent A drug used for its actions on skeletal muscle. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. 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. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| rocuronium bromide (CHEBI:8885) has parent hydride 5α-androstane (CHEBI:28859) |
| rocuronium bromide (CHEBI:8885) has part rocuronium (CHEBI:8884) |
| rocuronium bromide (CHEBI:8885) has role analgesic (CHEBI:35480) |
| rocuronium bromide (CHEBI:8885) has role cardiovascular drug (CHEBI:35554) |
| rocuronium bromide (CHEBI:8885) has role muscle relaxant (CHEBI:51371) |
| rocuronium bromide (CHEBI:8885) has role neuromuscular agent (CHEBI:51372) |
| rocuronium bromide (CHEBI:8885) is a organic bromide salt (CHEBI:48369) |
| rocuronium bromide (CHEBI:8885) is a quaternary ammonium salt (CHEBI:35273) |
| IUPAC Name |
|---|
| 17β-(acetyloxy)-3α-hydroxy-2β-(morpholin-4-yl)-16β-[1-(prop-2-en-1-yl)pyrrolidinium-1-yl]-5α-androstane |
| INNs | Source |
|---|---|
| bromure de rocuronium | WHO MedNet |
| bromuro de rocuronio | WHO MedNet |
| rocuronium bromide | KEGG DRUG |
| Synonyms | Source |
|---|---|
| 17β-acetoxy-16β-(1-allylpyrrolidinium-1-yl)-3α-hydroxy-2β-(morpholin-4-yl)-5αandrostane | IUPAC |
| 1-Allyl-1-(3alpha,17beta-dihydroxy-2beta-morpholino-5alpha-androstan-16beta-yl)pyrrolidinium bromide, 17-acetate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| CN101687905 | Patent |
| D00765 | KEGG DRUG |
| DB00728 | DrugBank |
| Rocuronium_bromide | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7161858 | Reaxys |
| CAS:119302-91-9 | DrugBank |
| CAS:119302-91-9 | ChemIDplus |
| CAS:119302-91-9 | KEGG DRUG |
| Citations |
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