Trifluoperazine methiodide
10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine iodide
Also Known As: Trifluoperazine methiodide|KST-1B2995|1,1-Dimethyl-4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazinium iodide|1,1-dimethyl-4-{3-[2-(trifluoromethyl)-10h-phenothiazin-10-yl]propyl}piperazin-1-ium iodide|Piperazinium, 1,1-dimethyl-4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-, iodide|Piperazinium, 1,1-dimethyl-4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-, iodide|Piperazinium, 1,1-dimethyl-4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-, iodide (8CI)|10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine iodide|Piperazinium, 1,1-dimethyl-4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-, iodide|Piperazinium, 1,1-dimethyl-4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-, iodide|Piperazinium,1,1-dimethyl-4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-, iodide(1:1)
| Molecular Formula | C22H27F3IN3S |
|---|---|
| Molecular Weight | 549.0922 g/mol |
| LogP | 2.0942 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 549.0922 |
| Monoisotopic Mass | 549.0922 |
| Heavy Atoms | 30 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 31599-79-8 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C.[I-] |
| InChIKey | XUANCHTZXRSFOL-UHFFFAOYSA-M |
Product Overview
Trifluoperazine methiodide (CAS 31599-79-8), with molecular formula C22H27F3IN3S and molecular weight 549.0922 g/mol. IUPAC: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine iodide.
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