Metocurine Iodide
TL;DR: Metocurine Iodide (CAS 7601-55-0) is a chemical compound with molecular formula C40H48I2N2O6 and molecular weight 906.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,16R)-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 diiodide
Also Known As: METOCURINE IODIDE, Metubine iodide, Metubine, Methyl-curarin, Metokurinjodid
| Molecular Formula | C40H48I2N2O6 |
|---|---|
| Molecular Weight | 906.16 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 | 906.16016 |
| Heavy Atoms | 50 |
| Complexity | 1060.0 |
| Melting Point | 267-270 |
Chemical Identifiers
| CAS Number | 7601-55-0 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C.[I-].[I-] |
| InChIKey | DIGFQJFCDPKEPF-OIUSMDOTSA-L |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metocurine Iodide (CAS 7601-55-0), with molecular formula C40H48I2N2O6 and molecular weight 906.16 g/mol. IUPAC: (1S,16R)-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 diiodide.
Chemical Property Profile of Metocurine Iodide
Property Insights of Metocurine Iodide
The XLogP value of 1.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metocurine Iodide. With a topological polar surface area (TPSA) of 55.4 Ų, Metocurine Iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Metocurine Iodide 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 Metocurine Iodide?
The CAS number of Metocurine Iodide is 7601-55-0.
What is the molecular formula of Metocurine Iodide?
The molecular formula of Metocurine Iodide is C40H48I2N2O6.
What is the molecular weight of Metocurine Iodide?
The molecular weight of Metocurine Iodide is 906.16 g/mol.
Where can I buy Metocurine Iodide?
You can request a quote for Metocurine Iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metocurine Iodide?
Yes, KEHONG BIO provides custom synthesis services for Metocurine Iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.