Amitriptyline N-glucuronide
TL;DR: Amitriptyline N-glucuronide (CAS 112806-33-4) is a chemical compound with molecular formula C26H31NO6 and molecular weight 453.21515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6R)-6-[dimethyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]azaniumyl]-3,4,5-trihydroxyoxane-2-carboxylate
Also Known As: Amitriptyline N-glucuronide, AT-N-Gluc, Amitriptyline-N-glucuronide, Amitriptyline N-, A-D-Glucuronide
Technical Specifications
| Molecular Formula | C26H31NO6 |
| Molecular Weight | 453.21515 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.21515 Da |
| Heavy Atoms | 33 |
| Complexity | 692.0 |
| SMILES | C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O |
| InChIKey | WXMXRAPAGYPAJI-ARXROMJUSA-N |
Chemical Property Profile of Amitriptyline N-glucuronide
Property Insights of Amitriptyline N-glucuronide
The XLogP value of 3.2 indicates that Amitriptyline N-glucuronide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Amitriptyline N-glucuronide. Following Lipinski's Rule of Five, Amitriptyline N-glucuronide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Amitriptyline N-glucuronide?
The CAS number of Amitriptyline N-glucuronide is 112806-33-4.
What is the molecular formula of Amitriptyline N-glucuronide?
The molecular formula of Amitriptyline N-glucuronide is C26H31NO6.
What is the molecular weight of Amitriptyline N-glucuronide?
The molecular weight of Amitriptyline N-glucuronide is 453.21515 g/mol.
Where can I buy Amitriptyline N-glucuronide?
You can request a quote for Amitriptyline N-glucuronide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Amitriptyline N-glucuronide?
Yes, CoreyChem provides custom synthesis services for Amitriptyline N-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.