Dacuronium
TL;DR: Dacuronium (CAS 27115-86-2) is a chemical compound with molecular formula C33H58N2O3+2 and molecular weight 530.44 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-hydroxy-10,13-dimethyl-2,16-bis(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-3-yl] acetate
Also Known As: Dacuronium, Dacuronium ion, 17-Hydroxypancuronium, Dacuronium cation, Mercilon
| Molecular Formula | C33H58N2O3+2 |
|---|---|
| Molecular Weight | 530.44 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 530.44476 |
| Heavy Atoms | 38 |
| Complexity | 895.0 |
Chemical Identifiers
| CAS Number | 27115-86-2 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5O)[N+]6(CCCCC6)C)C |
| InChIKey | XQFBAGUGBNQLRT-ZZZJANDJSA-N |
Product Overview
Dacuronium (CAS 27115-86-2), with molecular formula C33H58N2O3+2 and molecular weight 530.44 g/mol. IUPAC: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-2,16-bis(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-3-yl] acetate.
Chemical Property Profile of Dacuronium
Property Insights of Dacuronium
The XLogP value of 6.0 indicates that Dacuronium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Dacuronium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dacuronium has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dacuronium?
The CAS number of Dacuronium is 27115-86-2.
What is the molecular formula of Dacuronium?
The molecular formula of Dacuronium is C33H58N2O3+2.
What is the molecular weight of Dacuronium?
The molecular weight of Dacuronium is 530.44 g/mol.
Where can I buy Dacuronium?
You can request a quote for Dacuronium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dacuronium?
Yes, KEHONG BIO provides custom synthesis services for Dacuronium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.