Triphthazine Sulfoxide - CAS 1549-88-8

Catalog:	BB057358
Product Name:	Triphthazine Sulfoxide
CAS:	1549-88-8
Synonyms:	Trifluoperazine S-Oxide;Trifluoperazine Sulfoxide;Trifluoperazine Sulphoxide;Trifluoroperazine Sulfoxide;10- [3- (4- Methyl- 1- piperazinyl) propyl] - 2- (trifluoromethyl) -10H- phenothiazine 5-Oxide;10-(3-(4-Methylpiperazin-1-yl)propyl)-2-(trifluoromethyl)-10H-phenothiazine 5-oxide

Technical Data

IUPAC Name:	10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine 5-oxide
Description:	Triphthazine Sulfoxide is used for the decomposition of sulfoxide metabolites of phenothiazine antipsychotics during gas chromatographic analysis.
Molecular Weight:	423.5
Molecular Formula:	C21H24F3N3OS
Canonical SMILES:	CN1CCN(CC1)CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)C(F)(F)F
InChI:	InChI=1S/C21H24F3N3OS/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)29(28)20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
InChI Key:	UCTLPXYMIYHZST-UHFFFAOYSA-N
References:	Hall, K., et al.:J Chromatogr. B. Biomed. Sci. Appl. 231, 200 (1982).

Complexity:	582
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	423.15921806
Formal Charge:	0
Heavy Atom Count:	29
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	423.15921806
Rotatable Bond Count:	4
Topological Polar Surface Area:	56.7Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7