VECURONIUM BROMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1984)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 7E4PHP5N1D
Parent Compound: VECURONIUM

Structure
InChI Key VEPSYABRBFXYIB-PWXDFCLTSA-M
Smile CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1.[Br-]
InChI
InChI=1S/C34H57N2O4.BrH/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;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H57BrN2O4
Molecular Weight 637.74
AlogP 5.97
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 55.84
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 40.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscle-type nicotinic acetylcholine receptor antagonist ISBN PubMed PubMed PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 3500 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- 1900 - - 85

Indications

Mesh Heading Maximum Phase Reference
Delayed Emergence from Anesthesia; Postoperative Complications Phase 4 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
19.62
Nervous system disorders
14.16
Cardiac disorders
12.63
General disorders and administration site conditions
11.95
Respiratory, thoracic and mediastinal disorders
8.87
Investigations
6.48
Vascular disorders
5.29
Musculoskeletal and connective tissue disorders
4.44
Immune system disorders
3.41
Metabolism and nutrition disorders
2.9
Psychiatric disorders
2.22

Cross References

Resources Reference
ChEBI 9940
ChEMBL CHEMBL1200629
EPA CompTox DTXSID1023736
FDA SRS 7E4PHP5N1D
PubChem 39764
SureChEMBL SCHEMBL22250
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