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14759-06-9 | 10H-Phenothiazine, 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylsulfonyl)-
CAS No: 14759-06-9 Catalog No: AG001F03 MDL No:
Product Description
Catalog Number:
AG001F03
Chemical Name:
10H-Phenothiazine, 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylsulfonyl)-
CAS Number:
14759-06-9
Molecular Formula:
C21H26N2O2S2
Molecular Weight:
402.5733
IUPAC Name:
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfonylphenothiazine
InChI:
InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChI Key:
FLGCRGJDQJIJAW-UHFFFAOYSA-N
SMILES:
CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)C
EC Number:
238-818-7
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.144g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.571g/mol
Monoisotopic Mass:
402.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Factors affecting drug concentrations and QT interval during thioridazine therapy. | Clinical pharmacology and therapeutics 20071101 |
| No effect of the CYP1A2*1F genotype on thioridazine, mesoridazine, sulforidazine plasma concentrations in psychiatric patients. | European journal of clinical pharmacology 20070501 |
| Thioridazine steady-state plasma concentrations are influenced by tobacco smoking and CYP2D6, but not by the CYP2C9 genotype. | European journal of clinical pharmacology 20030501 |
| Using absolute and relative reasoning in the prediction of the potential metabolism of xenobiotics. | Journal of chemical information and computer sciences 20030101 |
| Effect of thioridazine dosage on the debrisoquine hydroxylation phenotype in psychiatric patients with different CYP2D6 genotypes. | Therapeutic drug monitoring 20011201 |
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