Information
Ansofaxine hydrochloride (LY03005, LPM570065) is a triple reuptake inhibitor that inhibits serotonin, dopamine and norepinephrine reuptake with IC50 of 723 nM, 491 nM and 763 nM, respectively.
| Pubchem Sid | 504771500 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771500 |
| Canonical Smiles | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(CN(C)C)C3(CCCCC3)O.Cl |
| IUPAC Name | [4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] 4-methylbenzoate;hydrochloride |
| InChIKey | BVWFJKQJRNSYCR-UHFFFAOYSA-N |
| INCHI | 1S/C24H31NO3.ClH/c1-18-7-9-20(10-8-18)23(26)28-21-13-11-19(12-14-21)22(17-25(2)3)24(27)15-5-4-6-16-24;/h7-14,22,27H,4-6,15-17H2,1-3H3;1H |
| Isomeric SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(CN(C)C)C3(CCCCC3)O.Cl |
| Molecular Weight | 417.97 |
| Reaxy-Rn | 13112400 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13112400&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Depsides and depsidones |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Depsides and depsidones |
| Alternative Parents | Phenol esters Benzoic acid esters Phenoxy compounds Benzoyl derivatives Fatty acid esters Cyclohexanols Tertiary alcohols Enol esters Enoate esters 1,3-aminoalcohols Trialkylamines Cyclic alcohols and derivatives Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Depside backbone - Phenol ester - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Fatty acid ester - Cyclohexanol - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Enol ester - Cyclic alcohol - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2307086 | Certificate of Analysis | Nov 22, 2023 | A412319 |
| L2307088 | Certificate of Analysis | Nov 22, 2023 | A412319 |
| L2307090 | Certificate of Analysis | Nov 22, 2023 | A412319 |
| L2307092 | Certificate of Analysis | Nov 22, 2023 | A412319 |
| L2307093 | Certificate of Analysis | Nov 22, 2023 | A412319 |
| L2307095 | Certificate of Analysis | Nov 22, 2023 | A412319 |
| L2307098 | Certificate of Analysis | Nov 22, 2023 | A412319 |
| L2307100 | Certificate of Analysis | Nov 22, 2023 | A412319 |
| L2307102 | Certificate of Analysis | Nov 22, 2023 | A412319 |
| L2307104 | Certificate of Analysis | Nov 22, 2023 | A412319 |
| L2307260 | Certificate of Analysis | Nov 22, 2023 | A412319 |
| L2307261 | Certificate of Analysis | Nov 22, 2023 | A412319 |
| Sensitivity | Moisture sensitive. |
|---|---|
| Molecular Weight | 418.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 417.207 Da |
| Monoisotopic Mass | 417.207 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 484.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
