Pipecuronium bromideProduct ingredient for Pipecuronium
- Name
- Pipecuronium bromide
- Drug Entry
- Pipecuronium
Pipecuronium is a piperazinyl androstane derivative which is a non-depolarizing neuromuscular blocking agent.
- Accession Number
- DBSALT000367
- Structure
Structure for Pipecuronium bromide (DBSALT000367)
- Synonyms
- Pipecuronium bromide
- External IDs
- RGH 1106 / RGH-1106
- UNII
- R6ZTY81RE1
- CAS Number
- 52212-02-9
- Weight
- Average: 762.699
Monoisotopic: 760.313781786 - Chemical Formula
- C35H62Br2N4O4
- InChI Key
- TXWBOBJCRVVBJF-YTGGZNJNSA-L
- InChI
- InChI=1S/C35H62N4O4.2BrH/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36;;/h26-33H,9-23H2,1-8H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1
- IUPAC Name
- 4-[(1R,2S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-1,7-bis(acetyloxy)-8-(4,4-dimethylpiperazin-4-ium-1-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]-1,1-dimethylpiperazin-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)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1
- External Links
- KEGG Drug
- D00764
- PubChem Compound
- 65332
- ChemSpider
- 58815
- ChEBI
- 8231
- ChEMBL
- CHEMBL1200722
- Wikipedia
- Pipecuronium_bromide
- Predicted Properties
Property Value Source Water Solubility 6.91e-05 mg/mL ALOGPS logP -1.3 ALOGPS logP -5.3 Chemaxon logS -7 ALOGPS pKa (Strongest Basic) 5.31 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 59.08 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 193.04 m3·mol-1 Chemaxon Polarizability 72.11 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