(+)-Tubocurarine chloride pentahydrate
TL;DR: (+)-Tubocurarine chloride pentahydrate (CAS 6989-98-6) is a chemical compound with molecular formula C37H52Cl2N2O11 and molecular weight 770.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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;chloride;pentahydrate;hydrochloride
Also Known As: Tubocurarine chloride, CURARE, Tubaine, tubocurarine, Intocostrine
| Molecular Formula | C37H52Cl2N2O11 |
|---|---|
| Molecular Weight | 770.29 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 2 |
| Exact Mass | 770.2948 |
| Heavy Atoms | 52 |
| Complexity | 990.0 |
Chemical Identifiers
| CAS Number | 6989-98-6 |
|---|---|
| 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.O.O.O.O.O.Cl.[Cl-] |
| InChIKey | WMIZITXEJNQAQK-GGDSLZADSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+)-Tubocurarine chloride pentahydrate (CAS 6989-98-6), with molecular formula C37H52Cl2N2O11 and molecular weight 770.29 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;chloride;pentahydrate;hydrochloride.
Chemical Property Profile of (+)-Tubocurarine chloride pentahydrate
Property Insights of (+)-Tubocurarine chloride pentahydrate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Tubocurarine chloride pentahydrate. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Tubocurarine chloride pentahydrate. Following Lipinski's Rule of Five, (+)-Tubocurarine chloride pentahydrate has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (+)-Tubocurarine chloride pentahydrate?
The CAS number of (+)-Tubocurarine chloride pentahydrate is 6989-98-6.
What is the molecular formula of (+)-Tubocurarine chloride pentahydrate?
The molecular formula of (+)-Tubocurarine chloride pentahydrate is C37H52Cl2N2O11.
What is the molecular weight of (+)-Tubocurarine chloride pentahydrate?
The molecular weight of (+)-Tubocurarine chloride pentahydrate is 770.29 g/mol.
Where can I buy (+)-Tubocurarine chloride pentahydrate?
You can request a quote for (+)-Tubocurarine chloride pentahydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Tubocurarine chloride pentahydrate?
Yes, KEHONG BIO provides custom synthesis services for (+)-Tubocurarine chloride pentahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.