Dacuronium Bromide
TL;DR: Dacuronium Bromide (CAS 76312-47-5) is a chemical compound with molecular formula C33H58Br2N2O3 and molecular weight 688.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Dacuronium Bromide
[(2S,3S,5S,10S,13S)-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 dibromide
Also Known As: Dacuronium Bromide, Org 6368, Dacuronium bromide [BAN:INN], NB68, Dacuronii bromidum [INN-Latin]
| Molecular Formula | C33H58Br2N2O3 |
|---|---|
| Molecular Weight | 688.28 g/mol |
| LogP | -0.45 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 690.27936 |
| Heavy Atoms | 40 |
| Complexity | 895.0 |
Chemical Identifiers
| CAS Number | 76312-47-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5(C3CC(C5O)[N+]6(CCCCC6)C)C.[Br-].[Br-] |
| InChIKey | SUKULMJPMHYWKC-ASCUVKKQSA-L |
Product Overview
Dacuronium Bromide (CAS 76312-47-5), with molecular formula C33H58Br2N2O3 and molecular weight 688.28 g/mol. IUPAC: [(2S,3S,5S,10S,13S)-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 dibromide.
Chemical Property Profile of Dacuronium Bromide
Property Insights of Dacuronium Bromide
The XLogP value of -0.45 indicates that Dacuronium Bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Dacuronium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dacuronium Bromide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dacuronium Bromide?
The CAS number of Dacuronium Bromide is 76312-47-5.
What is the molecular formula of Dacuronium Bromide?
The molecular formula of Dacuronium Bromide is C33H58Br2N2O3.
What is the molecular weight of Dacuronium Bromide?
The molecular weight of Dacuronium Bromide is 688.28 g/mol.
Where can I buy Dacuronium Bromide?
You can request a quote for Dacuronium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dacuronium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Dacuronium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.