Radafaxine hydrochloride

Base Information

• Chemical Name: Radafaxine hydrochloride
• CAS No.: 106083-71-0
• Molecular Formula: C₁₃H₁₈ClNO₂*ClH
• Molecular Weight: 292.205
• Hs Code.: 2922509090
• European Community (EC) Number: 689-425-6
• UNII: SYD411HZ3S
• DSSTox Substance ID: DTXSID90909896
• Wikidata: Q27289464
• NCI Thesaurus Code: C78023
• ChEMBL ID: CHEMBL2107365
• Mol file: 106083-71-0.mol

Synonyms:Radafaxine hydrochloride;106083-71-0;Radafaxine (hydrochloride);Radafaxine HCl;(2S,3S)-Hydroxybupropion hydrochloride;GW-353162A;Radafaxine Hydrochloride [USAN];GW353162A;UNII-SYD411HZ3S;SYD411HZ3S;(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol;hydrochloride;Radafaxine hydrochloride (USAN);(+)-(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-2-ol;BW-306U;MFCD10565921;(+)-(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol hydrochloride;SCHEMBL1685503;CHEMBL2107365;DTXSID90909896;ORXTVTDGPVINDN-BTJVGWIPSA-N;Radafaxine Hydrochloride [USAN];CS-3815;GW 353162A;(2S,3S)-2-(3-CHLORO-PHENYL)-3,5,5-TRIMETHYL-MORPHOLIN-2-OL HYDROCHLORIDE;HY-17590;MS-24171;106083-71-0 (HCl).;D05692;Q27289464;(2S,3S)-Hydroxybupropion hydrochloride, >=98% (HPLC);(2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethyl-2-morpholinol;(2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholin-2-ol hydrochloride;(+)-(2S, 3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol hydrochloride;(+)-(2s,3s)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol hydrochloride salt;(+)-(2S,3S)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholin-2-ol hydrochloride;2-(3-Chlorophenyl)-3,5,5-trimethylmorpholin-2-ol--hydrogen chloride (1/1);2-Morpholinol, 2-(3-chlorophenyl)-3,5,5-trimethyl-, hydrochloride, (2S,3S)-

Chemical Property of Radafaxine hydrochloride

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 386.6°Cat760mmHg
• Flash Point: 187.6°C
• PSA: 41.49000
• Density: 1.144g/cm³
• LogP: 3.40280
• Storage Temp.: ?20°C
• Solubility.: DMSO: ≥12mg/mL
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 291.0792842
• Heavy Atom Count: 18
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

(2S,3S)-Hydroxybupropion hydrochloride ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O.Cl
• Isomeric SMILES: C[C@H]1[C@@](OCC(N1)(C)C)(C2=CC(=CC=C2)Cl)O.Cl
• Recent EU Clinical Trials: A Multicentre, Randomised, Double-Blind, Placebo-Controlled, Parallel-Group, Flexible-Dose Study Evaluating the Efficacy, Safety, and Tolerability of Radafaxine Extended-Release (100-140mg/day) Compared to Placebo in Adult Subjects Diagnosed with Major Depressive Disorder.
• Uses: Antidepressant; antianxiety.

Technology Process of Radafaxine hydrochloride

There total 2 articles about Radafaxine hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

radafaxine (192374-14-4,233600-52-7) → (+)-(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol hydrochloride (106083-71-0)

Guidance literature:

With hydrogenchloride; In methanol; ethyl acetate; at 10 ℃; for 1h; pH=1 - 2; Product distribution / selectivity;

Reference yield:

→ (+)-(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol hydrochloride (106083-71-0)

Guidance literature:

upstream raw materials:

radafaxine