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| CAS No.: | 106516-24-9 |
|---|---|
| Name: | Sertindole |
| Molecular Structure: | |
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| Formula: | C24H26ClFN4O |
| Molecular Weight: | 440.948 |
| Synonyms: | Serdolect;Zerdol; |
| Density: | 1.367 g/cm3 |
| Melting Point: | 95-100 °C |
| Boiling Point: | 592.065 °C at 760 mmHg |
| Flash Point: | 311.87 °C |
| Appearance: | off-white to Pale yellow solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 40.51000 |
| LogP: | 4.83220 |
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Specification
The Sertindole, with the CAS registry number 106516-24-9, is also known as Sertindole. It belongs to the product categories of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Isotope Labelled Compounds; Pharmaceuticals. This chemical's molecular formula is C24H26ClFN4O and molecular weight is 440.94. What's more, both its IUPAC name and systematic name are the same which is called 1-[2-[4-[5-Chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl] imidazolidin-2-one. It can be used as an antipsychotic medication and used in the treatment of schizophrenia.
Physical properties about Sertindole are: (1)ACD/LogP: 3.669; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 22.63; (7)ACD/KOC (pH 5.5): 3.83; (8)ACD/KOC (pH 7.4): 147.61; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 40.51 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 120.656 cm3; (15)Molar Volume: 322.66 cm3; (16)Polarizability: 47.832×10-24cm3; (17)Surface Tension: 51.375 dyne/cm; (18)Density: 1.367 g/cm3; (19)Flash Point: 311.87 °C; (20)Enthalpy of Vaporization: 88.301 kJ/mol; (21)Boiling Point: 592.065 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of Sertindole: this chemical can be prepared by 1-(2-chloro-ethyl)-imidazolidin-2-one with 5-chloro-1-(4-fluoro-phenyl)-3-piperidin-4-yl-1H-indole. This reaction needs reagents K2CO3, KI and other condition of heating for 16 hours. The yield is 87 %.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)n3c2ccc(Cl)cc2c(c3)C5CCN(CCN4C(=O)NCC4)CC5
(2) InChI: InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
(3) InChIKey: GZKLJWGUPQBVJQ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| women | TDLo | oral | 39mg/kg/10W-I (39mg/kg) | BEHAVIORAL: ATAXIA | British Journal of Psychiatry. Vol. 173, Pg. 351, 1998. |