Dimethyltubocurarinium chloride
TL;DR: Dimethyltubocurarinium chloride (CAS 33335-58-9) is a chemical compound with molecular formula C40H48Cl2N2O6 and molecular weight 722.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene dichloride
Also Known As: Dimethyltubocurarinium chloride, Dimethyl l-curine dimethochloride, (1-beta)-6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraranium dichloride, Tubocuraranium, 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-, dichloride, (1-beta)-
| Molecular Formula | C40H48Cl2N2O6 |
|---|---|
| Molecular Weight | 722.29 g/mol |
| LogP | 1.46 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 722.28894 |
| Heavy Atoms | 50 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 33335-58-9 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[Cl-].[Cl-] |
| InChIKey | IRPSJVWFSWAZSZ-UHFFFAOYSA-L |
Product Overview
Dimethyltubocurarinium chloride (CAS 33335-58-9), with molecular formula C40H48Cl2N2O6 and molecular weight 722.29 g/mol. IUPAC: 9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene dichloride.
Chemical Property Profile of Dimethyltubocurarinium chloride
Property Insights of Dimethyltubocurarinium chloride
The XLogP value of 1.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyltubocurarinium chloride. With a topological polar surface area (TPSA) of 55.4 Ų, Dimethyltubocurarinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyltubocurarinium chloride has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyltubocurarinium chloride?
The CAS number of Dimethyltubocurarinium chloride is 33335-58-9.
What is the molecular formula of Dimethyltubocurarinium chloride?
The molecular formula of Dimethyltubocurarinium chloride is C40H48Cl2N2O6.
What is the molecular weight of Dimethyltubocurarinium chloride?
The molecular weight of Dimethyltubocurarinium chloride is 722.29 g/mol.
Where can I buy Dimethyltubocurarinium chloride?
You can request a quote for Dimethyltubocurarinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyltubocurarinium chloride?
Yes, KEHONG BIO provides custom synthesis services for Dimethyltubocurarinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.