Promethazine sulfoxide

Base Information

• Chemical Name: Promethazine sulfoxide
• CAS No.: 7640-51-9
• Molecular Formula: C17H20 N2 O S
• Molecular Weight: 300.425
• Hs Code.: 2934999090
• UNII: G44A4PX06U
• DSSTox Substance ID: DTXSID50997774
• Nikkaji Number: J593.894E
• Wikidata: Q27278710
• ChEMBL ID: CHEMBL3544889
• Mol file: 7640-51-9.mol

Synonyms:promethazine sulfoxide;promethazine sulfoxide hydrochloride

Chemical Property of Promethazine sulfoxide

Chemical Property:

• Vapor Pressure: 1.06E-08mmHg at 25°C
• Boiling Point: 461.6°C at 760 mmHg
• PKA: 8.90±0.50(Predicted)
• Flash Point: 233°C
• PSA: 42.76000
• Density: 1.27g/cm³
• LogP: 4.18560
• Storage Temp.: Refrigerator
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 300.12963444
• Heavy Atom Count: 21
• Complexity: 361

Purity/Quality:

97% ^*data from raw suppliers

Promethazine sulfoxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN1C2=CC=CC=C2S(=O)C3=CC=CC=C31)N(C)C
• Uses: A metabolite of Promethazine (P757000).

Technology Process of Promethazine sulfoxide

There total 2 articles about Promethazine sulfoxide 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:

promethazine cation radical (60-87-7,67253-23-0,73745-50-3,92998-17-9) → Promethazine 5-sulfoxide (7640-51-9) + 10-[2-(dimethylamino)propyl]phenothiazine (60-87-7)

Guidance literature:

With water; In sulfuric acid; at 24.84 ℃; Concentration; pH-value; Kinetics;

DOI:10.1007/s11243-011-9531-x

Reference yield:

C17H20N2S(1+)*ClO4(1-) → Promethazine 5-sulfoxide (7640-51-9) + 10-[2-(dimethylamino)propyl]phenothiazine (60-87-7)

Guidance literature:

With water; Product distribution; Mechanism; pH 7; var. phenothiazine cation radicals, var. buffers;

DOI:10.1021/jm00143a016

upstream raw materials:

promethazine cation radical