CAS No.76330-71-7,Altanserin Suppliers,MSDS download

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Molecular Structure:
CAS No.:	76330-71-7
Name:	Altanserin
Article Data:	1

Formula:	C₂₂H₂₂FN₃O₂S
Molecular Weight:	411.5
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;
EINECS:	278-422-1
Density:	1.37 g/cm³
Boiling Point:	580.2 ºC at 760 mmHg
Flash Point:	304.7 ºC
Solubility:	Soluble to 20 mM in DMSO
Appearance:	Yellowish solid
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	90.19000
LogP:	3.73100

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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