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Altanserin

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Name

Altanserin

EINECS 278-422-1
CAS No. 76330-71-7 Density 1.37 g/cm3
PSA 90.19000 LogP 3.73100
Solubility Soluble to 20 mM in DMSO Melting Point N/A
Formula C22H22FN3O2S Boiling Point 580.2 ºC at 760 mmHg
Molecular Weight 411.5 Flash Point 304.7 ºC
Transport Information N/A Appearance Yellowish solid
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 76330-71-7 (Altanserin) Hazard Symbols IrritantXi
Synonyms

Altanserin;3-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one;3-(2-(4-(4-Fluorbenzoyl)piperidino)ethyl)-1,2,3,4-tetrahydro-2-thioxo-4-chinazolinon;Altanserina;

Article Data 1

Altanserin Specification

The IUPAC name of Altanserin is 3-[2-[4-(4-Fuorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one. With the CAS registry number 76330-71-7, it is also named as 4(1H)-Quinazolinone, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-2-thioxo-. The product's category is Serotonin Receptor. Besides, it is yellowish solid, which should be stored at 2-8 °C. In addition, this chemical is soluble to 20 mM in DMSO.

The other characteristics of this product can be summarized as: (1)EINECS: 278-422-1; (2)ACD/LogP: 3.29; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.42; (5)ACD/LogD (pH 7.4): 3; (6)ACD/BCF (pH 5.5): 2.52; (7)ACD/BCF (pH 7.4): 94.47; (8)ACD/KOC (pH 5.5): 19.84; (9)ACD/KOC (pH 7.4): 743.75; (10)H bond acceptors: 5; (11)H bond donors: 1; (12)Freely Rotating Bonds: 5; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 112.53 cm3; (15)Molar Volume: 299.7 cm3; (16)Surface Tension: 67.9 dyne/cm; (17)Density: 1.37 g/cm3; (18)Flash Point: 304.7 °C; (19)Enthalpy of Vaporization: 86.8 kJ/mol; (20)Boiling Point: 580.2 °C at 760 mmHg; (21)Vapour Pressure: 1.86E-13 mmHg at 25 °C.

Uses of Altanserin: this product is used as a radioligand in positron emission tomography (PET) studies of the brain and studies of the serotonin-2A neuroreceptors. Besides, it has been used in the study of rats. It can also be used in PET. Altanserin binding has been examine in twins, where one study showed higher correlation between monozygotic twin pairs than between dizygotic twin pairs, giving evidence that the binding is "strongly genetically determined". Additionally, it is used as receptor antagonist.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:Fc1ccc(cc1)C(=O)C4CCN(CCN3C(=O)c2ccccc2NC3=S)CC4
(2)InChI:InChI=1/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
(3)InChIKey:SMYALUSCZJXWHG-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
(5)Std. InChIKey:SMYALUSCZJXWHG-UHFFFAOYSA-N

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