Pipecuronium bromide hydrate
TL;DR: Pipecuronium bromide hydrate (CAS 68399-57-5) is a chemical compound with molecular formula C35H66Br2N4O6 and molecular weight 796.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide;dihydrate
Also Known As: Arduan, Pipecuronii bromidum, Bromuro de pipecuronio, Bromide, Pipecurium, Bromure de pipecuronium
| Molecular Formula | C35H66Br2N4O6 |
|---|---|
| Molecular Weight | 796.33 g/mol |
| LogP | -4.0079 |
| Topological Polar Surface Area | 122.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 796.3349 |
| Heavy Atoms | 47 |
| Complexity | 1078.2876 |
Chemical Identifiers
| CAS Number | 68399-57-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CC[N+](CC4)(C)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)N6CC[N+](CC6)(C)C)C.O.O.[Br-].[Br-] |
Product Overview
Pipecuronium bromide hydrate (CAS 68399-57-5), with molecular formula C35H66Br2N4O6 and molecular weight 796.33 g/mol. IUPAC: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide;dihydrate.
Chemical Property Profile of Pipecuronium bromide hydrate
Property Insights of Pipecuronium bromide hydrate
The XLogP value of -4.0079 indicates that Pipecuronium bromide hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Pipecuronium bromide hydrate. Following Lipinski's Rule of Five, Pipecuronium bromide hydrate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pipecuronium bromide hydrate?
The CAS number of Pipecuronium bromide hydrate is 68399-57-5.
What is the molecular formula of Pipecuronium bromide hydrate?
The molecular formula of Pipecuronium bromide hydrate is C35H66Br2N4O6.
What is the molecular weight of Pipecuronium bromide hydrate?
The molecular weight of Pipecuronium bromide hydrate is 796.33 g/mol.
Where can I buy Pipecuronium bromide hydrate?
You can request a quote for Pipecuronium bromide hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pipecuronium bromide hydrate?
Yes, KEHONG BIO provides custom synthesis services for Pipecuronium bromide hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.