(Dideacetoxy)pancuronium
TL;DR: (Dideacetoxy)pancuronium (CAS 53357-37-2) is a chemical compound with molecular formula C31H56Br2N2 and molecular weight 614.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]-1-methylpiperidin-1-ium dibromide
Also Known As: (Dideacetoxy)pancuronium, (Didesacetoxy)pancuronium, Bis(desacetoxy)pancuronium, Org 7931, Androstane,piperidinium deriv.
| Molecular Formula | C31H56Br2N2 |
|---|---|
| Molecular Weight | 614.28 g/mol |
| LogP | 1.0353 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 614.281 |
| Heavy Atoms | 35 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 53357-37-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2)[N+]4(CCCCC4)C)CC[C@@H]5[C@@]3(C[C@@H](CC5)[N+]6(CCCCC6)C)C.[Br-].[Br-] |
| InChIKey | WMKSDOJENIGUCY-CHEMMBICSA-L |
Product Overview
(Dideacetoxy)pancuronium (CAS 53357-37-2), with molecular formula C31H56Br2N2 and molecular weight 614.28 g/mol. IUPAC: 1-[(2R,5S,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]-1-methylpiperidin-1-ium dibromide.
Chemical Property Profile of (Dideacetoxy)pancuronium
Property Insights of (Dideacetoxy)pancuronium
The XLogP value of 1.0353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Dideacetoxy)pancuronium. With a topological polar surface area (TPSA) of 0.0 Ų, (Dideacetoxy)pancuronium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Dideacetoxy)pancuronium has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Dideacetoxy)pancuronium?
The CAS number of (Dideacetoxy)pancuronium is 53357-37-2.
What is the molecular formula of (Dideacetoxy)pancuronium?
The molecular formula of (Dideacetoxy)pancuronium is C31H56Br2N2.
What is the molecular weight of (Dideacetoxy)pancuronium?
The molecular weight of (Dideacetoxy)pancuronium is 614.28 g/mol.
Where can I buy (Dideacetoxy)pancuronium?
You can request a quote for (Dideacetoxy)pancuronium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Dideacetoxy)pancuronium?
Yes, KEHONG BIO provides custom synthesis services for (Dideacetoxy)pancuronium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.