Amitriptyline pamoateProduct ingredient for Amitriptyline
- Name
- Amitriptyline pamoate
- Drug Entry
- Amitriptyline
Amitriptyline is a tricyclic antidepressant that has been used to treat depression for decades. ELAVIL, a previously approved branded product of amitriptyline, was first approved by the FDA in 1961.11 Amitriptyline has been investigated in the treatment of pain-related conditions, attributed to its analgesic properties.6
- Accession Number
- DBSALT001193
- Structure
Structure for Amitriptyline pamoate (DBSALT001193)
- Synonyms
- Not Available
- UNII
- YX6VNM127F
- CAS Number
- 17086-03-2
- Weight
- Average: 943.197
Monoisotopic: 942.460787724 - Chemical Formula
- C63H62N2O6
- InChI Key
- HBFZQWHVSYYTGA-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H16O6.2C20H23N/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*3-6,8-12H,7,13-15H2,1-2H3
- IUPAC Name
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; bis(dimethyl(3-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene}propyl)amine)
- SMILES
- CN(C)CCC=C1C2=CC=CC=C2CCC2=C1C=CC=C2.CN(C)CCC=C1C2=CC=CC=C2CCC2=C1C=CC=C2.OC(=O)C1=CC2=CC=CC=C2C(CC2=C(O)C(=CC3=CC=CC=C23)C(O)=O)=C1O
- External Links
- ChemSpider
- 32701746
- Predicted Properties
Property Value Source Water Solubility 0.00418 mg/mL ALOGPS logP 4.58 ALOGPS logP 6.05 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 2.38 Chemaxon pKa (Strongest Basic) -6.3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 115.06 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 107.17 m3·mol-1 Chemaxon Polarizability 38.88 Å3 Chemaxon Number of Rings 10 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon