Drug Details

General Information of the Drug (ID: DR2599)
Name
Vecuronium
Synonyms
Vecuronium; 86029-43-8; CHEBI:9939; UNII-5438723848; Piperidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-2-(1-piperidinyl)androstan-16-yl)-1-methyl-; 50700-72-6; ORG-NC 45; 1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-4-(piperidin-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-methylpiperidin-1-ium; NCGC00167467-01; Musculax; Vecuronium cation; Epitope ID:116647; GTPL4002; CHEMBL1201219; DTXSID1044146; SCHEMBL13575838; HMS2090D22; ZINC4097404; BDBM50424713; ORG NC 45 / ORG-NC 45; AKOS025290368; DB01339; MCULE-4520566918; (2beta,3alpha,5alpha,16beta,17beta)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane; C07553; AB00698366-05; AB00698366-07; AB00698366_08; Q421224; BRD-K20168442-004-06-3
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Molecular Type
Small molecule
Disease Tonus and reflex abnormality [ICD-11: MB47] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C34H57N2O4+
PubChem CID
39765
Canonical SMILES
CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C
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
CAS Number
CAS 86029-43-8
ChEBI ID
CHEBI:9939
TTD Drug ID
D0Z8HG
DrugBank ID
DB01339
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          d-tubocurarine      Chondrodendron tomentosum     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vivo Model Clinical trial
                    Experimental
                    Result(s)		 Combination of vecuronium plus d-tubocurarine to be significantly more potent than would be expected from a simple additive effect of the individual drugs given alone.
Target and Pathway
Target(s) Neuronal acetylcholine receptor alpha-2 (CHRNA2)  Molecule Info  [3]
KEGG Pathway Neuroactive ligand-receptor interaction Click to Show/Hide
Panther Pathway Nicotinic acetylcholine receptor signaling pathway Click to Show/Hide
Reactome Highly calcium permeable postsynaptic nicotinic acetylcholine receptors Click to Show/Hide
2 Highly calcium permeable nicotinic acetylcholine receptors
WikiPathways Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell Click to Show/Hide
References
Reference 1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4002).
Reference 2 Vecuronium and d-tubocurarine combination: potentiation of effect. Anesth Analg. 1985 Jul;64(7):711-4.
Reference 3 Pharmacological characteristics of the inhibition of nondepolarizing neuromuscular blocking agents at human adult muscle nicotinic acetylcholine receptor. Anesthesiology. 2009 Jun;110(6):1244-52.
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