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Rapacuronium was withdrawn in 2001 in many countries due to risk of fatal bronchospasm.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
- Synonyms
- Rapacuronium bromide
- External IDs
- Org 9487
- 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-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-7-(acetyloxy)-9a,11a-dimethyl-8-(piperidin-1-yl)-1-(propanoyloxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-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
Property Value Source Water Solubility 1.82e-05 mg/mL ALOGPS logP 3.45 ALOGPS logP 2.32 Chemaxon logS -7.6 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 9 Chemaxon Refractivity 183.1 m3·mol-1 Chemaxon Polarizability 72.23 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