4-[(2-Aminophenyl)amino]-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]pyridinium Chloride - CAS 65053-27-2
Catalog: |
BB074526 |
Product Name: |
4-[(2-Aminophenyl)amino]-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]pyridinium Chloride |
CAS: |
65053-27-2 |
Synonyms: |
4-[(2-Aminophenyl)amino]-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]pyridinium Chloride |
IUPAC Name: | 2-N-[1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]pyridin-1-ium-4-yl]benzene-1,2-diaminechloride |
Description: | 4-[(2-Aminophenyl)amino]-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]pyridinium Chloride is an intermediate in the synthesis of Timiperone (T443110), an antipsychotic agent exhibiting neuroleptic activities. |
Molecular Weight: | 429.91 |
Molecular Formula: | C23H25ClFN3O2 |
Canonical SMILES: | C1COC(O1)(CCC[N+]2=CC=C(C=C2)NC3=CC=CC=C3N)C4=CC=C(C=C4)F.[Cl-] |
InChI: | InChI=1S/C23H24FN3O2.ClH/c24-19-8-6-18(7-9-19)23(28-16-17-29-23)12-3-13-27-14-10-20(11-15-27)26-22-5-2-1-4-21(22)25/h1-2,4-11,14-15H,3,12-13,16-17,25H21H |
InChI Key: | IOBNBLVOKTZLDL-UHFFFAOYSA-N |
Solubility: | DCM, Ethyl Acetate, Methanol |
Appearance: | Red Solid |
References: | Sato, M., et al. Chem. Pharma. Bull., 30, 719 (1982). |
Complexity: | 487 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 429.1619329 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 429.1619329 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 60.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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