10H-Phenothiazine,10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylsulfinyl)-(CAS No. 5588-33-0)

Details:

Name】
10H-Phenothiazine,10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylsulfinyl)-
【Iupac name】
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine
【CAS Registry number】
5588-33-0
【Synonyms】
Phenothiazine,10-[2-(1-methyl-2-piperidyl)ethyl]-2-(methylsulfinyl)- (7CI,8CI)
1-Methyl-2-[2-[2-(methylsulfinyl)phenothiazin-10-yl]ethyl]piperidine
10-[2-(1-Methyl-2-piperidyl)ethyl]-2-(methylsulfinyl)-10H-phenothiazine
10-[2-(1-Methyl-2-piperidyl)ethyl]-2-(methylsulfinyl)phenothiazine
Mesoridazine
NSC 186066
Serentil
TPS 23
Thioridazine-2-sulfoxide
【Molecular Formula】
C21H26 N2 O S2 (Products with the same molecular formula)
【Molecular Weight】
386.61
【Inchi】
InChI=1/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
【Canonical SMILES】
CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C
【MOL File】
5588-33-0.mol
Chemical and Physical Properties
【Density】
1.3g/cm3
【Boiling Point】
570.5°Cat760mmHg
【Refractive Index】
1.694
【Flash Point】
298.9°C
【Color/Form】
Oily product
【Computed Properties】
Molecular Weight:386.57394 [g/mol]
Molecular Formula:C21H26N2OS2
XLogP3:4.5
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:4
Exact Mass:386.148655
MonoIsotopic Mass:386.148655
Topological Polar Surface Area:68.1
Heavy Atom Count:26
Formal Charge:0
Complexity:502
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:4
Effective Rotor Count:5.6
Conformer Sampling RMSD:0.8
CID Conformer Count:128
Safety and Handling
【Safety Statements 】
Human poison by ingestion. Experimental poison by intravenous route. Human systemic effects: arrhythmias. When heated to decomposition it emits very toxic fumes of SOx and NOx.
【Safety】
Human poison by ingestion. Experimental poison by intravenous route. Human systemic effects: arrhythmias. When heated to decomposition it emits very toxic fumes of SOx and NOx.
【Formulations/Preparations】
Benzenesulfonate, mesoridazine besylate, NC-123, Lidanar, Lidanil, Serentil. /Besylate/
【Exposure Standards and Regulations】
Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).
【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Use and Manufacturing
【Use and Manufacturing】
Methods of Manufacturing

Renz et al, US patent 3,084,161 (1963 to Sandoz).