Vecuronium bromideProduct ingredient for Vecuronium
- Name
- Vecuronium bromide
- Drug Entry
- Vecuronium
Monoquaternary homolog of pancuronium. A non-depolarizing neuromuscular blocking agent with shorter duration of action than pancuronium. Its lack of significant cardiovascular effects and lack of dependence on good kidney function for elimination as well as its short duration of action and easy reversibility provide advantages over, or alternatives to, other established neuromuscular blocking agents.
- Accession Number
- DBSALT001200
- Structure
Structure for Vecuronium bromide (DBSALT001200)
- Synonyms
- Not Available
- UNII
- 7E4PHP5N1D
- CAS Number
- 50700-72-6
- Weight
- Average: 637.744
Monoisotopic: 636.350171 - Chemical Formula
- C34H57BrN2O4
- InChI Key
- VEPSYABRBFXYIB-PWXDFCLTSA-M
- 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
- IUPAC Name
- 1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-4-(piperidin-1-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-yl]-1-methylpiperidin-1-ium bromide
- SMILES
- [Br-].[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1
- External Links
- KEGG Drug
- D00767
- ChemSpider
- 36357
- ChEBI
- 9940
- ChEMBL
- CHEMBL1200629
- Wikipedia
- Vecuronium_bromide
- Predicted Properties
Property Value Source Water Solubility 2.46e-05 mg/mL ALOGPS logP 2.09 ALOGPS logP 0.89 Chemaxon logS -7.4 ALOGPS pKa (Strongest Basic) 9.65 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 55.84 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 169.31 m3·mol-1 Chemaxon Polarizability 66.89 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon