TIOTROPIUM BROMIDE
TL;DR: TIOTROPIUM BROMIDE (CAS 136310-93-5) is a chemical compound with molecular formula C19H22BrNO4S2 and molecular weight 471.01736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate bromide
Also Known As: TIOTROPIUM BROMIDE, Spiriva, Tiotropium, Spiriva Handihaler, Tiotropium (Bromide)
Technical Specifications
| Molecular Formula | C19H22BrNO4S2 |
| Molecular Weight | 471.01736 g/mol |
| XLogP | -0.65 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.01736 Da |
| Heavy Atoms | 27 |
| Complexity | 564.0 |
| SMILES | C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-] |
| InChIKey | DQHNAVOVODVIMG-UHFFFAOYSA-M |
Chemical Property Profile of TIOTROPIUM BROMIDE
Property Insights of TIOTROPIUM BROMIDE
The XLogP value of -0.65 indicates that TIOTROPIUM BROMIDE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TIOTROPIUM BROMIDE. Following Lipinski's Rule of Five, TIOTROPIUM BROMIDE has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of TIOTROPIUM BROMIDE?
The CAS number of TIOTROPIUM BROMIDE is 136310-93-5.
What is the molecular formula of TIOTROPIUM BROMIDE?
The molecular formula of TIOTROPIUM BROMIDE is C19H22BrNO4S2.
What is the molecular weight of TIOTROPIUM BROMIDE?
The molecular weight of TIOTROPIUM BROMIDE is 471.01736 g/mol.
Where can I buy TIOTROPIUM BROMIDE?
You can request a quote for TIOTROPIUM BROMIDE directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for TIOTROPIUM BROMIDE?
Yes, CoreyChem provides custom synthesis services for TIOTROPIUM BROMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.