氯化筒箭毒碱
TL;DR: 氯化筒箭毒碱 (CAS 57-95-4) is a chemical compound with molecular formula C37H41N2O6+ and molecular weight 609.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化筒箭毒碱
(1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[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-9,21-diol
Also Known As: tubocurarine, d-Tubocurarine, Tubocurarin, Tubocurarinum, Tubocurarine chloride
| Molecular Formula | C37H41N2O6+ |
|---|---|
| Molecular Weight | 609.30 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 609.29645 |
| Heavy Atoms | 45 |
| Complexity | 990.0 |
| Melting Point | Needles from water; mp: 268 °C (effervescence); specific optical rotation: -258 deg @ 20 °C (c=0.38) for the anhydrous salt /Chloride, l-Form/ |
| Solubility | Solublity (25 °C): approx 50 mg/l water; but supersaturated solustions are formed readily. Solubility also reported as approximately 1 g/40 ml water; approximately 1 g/75 ml ethanol. Also soluble in methanol. Insoluble in pyridine, chloroform, benzene, acetone, ether. /Chloride, d-Form/ |
Chemical Identifiers
| CAS Number | 57-95-4 |
|---|---|
| SMILES | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC |
| InChIKey | JFJZZMVDLULRGK-URLMMPGGSA-O |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯化筒箭毒碱 (CAS 57-95-4), with molecular formula C37H41N2O6+ and molecular weight 609.30 g/mol. IUPAC: (1S,16R)-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-30-aza-15-azoniaheptacyclo[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-9,21-diol.
Chemical Property Profile of 氯化筒箭毒碱
Property Insights of 氯化筒箭毒碱
The XLogP value of 6.0 indicates that 氯化筒箭毒碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯化筒箭毒碱. Following Lipinski's Rule of Five, 氯化筒箭毒碱 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氯化筒箭毒碱?
The CAS number of 氯化筒箭毒碱 is 57-95-4.
What is the molecular formula of 氯化筒箭毒碱?
The molecular formula of 氯化筒箭毒碱 is C37H41N2O6+.
What is the molecular weight of 氯化筒箭毒碱?
The molecular weight of 氯化筒箭毒碱 is 609.30 g/mol.
Where can I buy 氯化筒箭毒碱?
You can request a quote for 氯化筒箭毒碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化筒箭毒碱?
Yes, KEHONG BIO provides custom synthesis services for 氯化筒箭毒碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.