Pancuronium bromideProduct ingredient for Pancuronium
- Name
- Pancuronium bromide
- Drug Entry
- Pancuronium
A bis-quaternary steroid that is a competitive nicotinic antagonist. As a neuromuscular blocking agent it is more potent than curare but has less effect on the circulatory system and on histamine release.
- Accession Number
- DBSALT000368
- Structure
Structure for Pancuronium bromide (DBSALT000368)
- Synonyms
- Bromure de pancuronium / Bromuro de pancuronio
- UNII
- U9LY9Y75X2
- CAS Number
- 15500-66-0
- Weight
- Average: 732.67
Monoisotopic: 730.291983712 - Chemical Formula
- C35H60Br2N2O4
- InChI Key
- NPIJXCQZLFKBMV-YTGGZNJNSA-L
- InChI
- InChI=1S/C35H60N2O4.2BrH/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;/h26-33H,7-23H2,1-6H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1
- IUPAC Name
- 1-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1,7-bis(acetyloxy)-9a,11a-dimethyl-8-(1-methylpiperidin-1-ium-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1-methylpiperidin-1-ium dibromide
- SMILES
- [Br-].[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)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
- External Links
- PubChem Compound
- 27350
- ChemSpider
- 25453
- BindingDB
- 50248016
- ChEBI
- 7908
- ChEMBL
- CHEMBL1200757
- Wikipedia
- Pancuronium_bromide
- Predicted Properties
Property Value Source Water Solubility 1.09e-05 mg/mL ALOGPS logP 0.76 ALOGPS logP -3.3 Chemaxon logS -7.8 ALOGPS pKa (Strongest Basic) -6.7 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 52.6 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 185.22 m3·mol-1 Chemaxon Polarizability 69.56 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