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
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
KEGG Drug
D00767
ChemSpider
36357
ChEBI
9940
ChEMBL
CHEMBL1200629
Wikipedia
Vecuronium_bromide
Predicted Properties
PropertyValueSource
Water Solubility2.46e-05 mg/mLALOGPS
logP2.09ALOGPS
logP0.89ChemAxon
logS-7.4ALOGPS
pKa (Strongest Basic)9.65ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area55.84 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity169.31 m3·mol-1ChemAxon
Polarizability66.89 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon