Rapacuronium bromideProduct ingredient for Rapacuronium

Name
Rapacuronium bromide
Drug Entry
Rapacuronium

Rapacuronium was withdrawn in 2001 in many countries due to risk of fatal bronchospasm.

Accession Number
DBSALT000337
Structure
Thumb
Synonyms
Not Available
UNII
65Q4QDG4KC
CAS Number
156137-99-4
Weight
Average: 677.795
Monoisotopic: 676.381471097
Chemical Formula
C37H61BrN2O4
InChI Key
LVQTUXZKLGXYIU-GWSNJHLMSA-M
InChI
InChI=1S/C37H61N2O4.BrH/c1-6-20-39(21-12-9-13-22-39)32-24-30-28-15-14-27-23-33(42-26(3)40)31(38-18-10-8-11-19-38)25-37(27,5)29(28)16-17-36(30,4)35(32)43-34(41)7-2;/h6,27-33,35H,1,7-25H2,2-5H3;1H/q+1;/p-1/t27-,28+,29-,30-,31-,32-,33-,35-,36-,37-;/m0./s1
IUPAC Name
1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5-(acetyloxy)-2,15-dimethyl-4-(piperidin-1-yl)-14-(propanoyloxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-yl]-1-(prop-2-en-1-yl)piperidin-1-ium bromide
SMILES
[Br-].[H][C@@]12C[C@@H]([C@H](OC(=O)CC)[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(CC=C)CCCCC1
External Links
PubChem Compound
5311398
ChemSpider
4470889
ChEMBL
CHEMBL1200549
Wikipedia
Rapacuronium_bromide
Predicted Properties
PropertyValueSource
Water Solubility1.82e-05 mg/mLALOGPS
logP3.45ALOGPS
logP2.32ChemAxon
logS-7.6ALOGPS
pKa (Strongest Basic)9.65ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area55.84 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity183.1 m3·mol-1ChemAxon
Polarizability72.29 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon