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Taglutimide

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Name

Taglutimide

EINECS N/A
CAS No. 14166-26-8 Density 1.434 g/cm3
PSA 83.55000 LogP 0.08940
Solubility N/A Melting Point 234-236℃
Formula C14H16N2O4 Boiling Point 553.3 °C at 760 mmHg
Molecular Weight 276.29 Flash Point 288.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 14166-26-8 (Taglutimide) Hazard Symbols N/A
Synonyms

2,3-Norbornanedicarboximide,N-(2,6-dioxo-3-piperidyl)-, stereoisomer (8CI);3-(1,4-Endomethylenecyclohexane-2,3-endo,cis-dicarboximido)piperidine-2,6-dione;Biglumide;K 2004;Taglutimide;cis-endo-N-(2,6-Dioxo-3-piperidyl)-2,3-norbornanedicarboximide;2-(2,6-Dioxo-3-piperidinyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione;3-(1,4-Endomethylenecyclohexane-2,3-endo,cis-dicarboximido)piperidine-2,6-dione;Taglutimidum;

 

Taglutimide Specification

The CAS registry number of 4,7-Methano-1H-isoindole-1,3(2H)-dione,2-(2,6-dioxo-3-piperidinyl)hexahydro-(9CI) is 14166-26-8. The IUPAC name is 2-(2,6-dioxopiperidin-3-yl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. In addition, the molecular formula is C14H16N2O4 and the molecular weight is 276.29. It is bicyclo analog of thalidomide with teratogenic properties and belongs to the class of Hypnotic.

Physical properties about 4,7-Methano-1H-isoindole-1,3(2H)-dione,2-(2,6-dioxo-3-piperidinyl)hexahydro-(9CI) are: (1)ACD/LogP: 0.06; (2)ACD/LogD (pH 5.5): 0.06; (3)ACD/LogD (pH 7.4): 0.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.72; (7)ACD/KOC (pH 7.4): 25.71; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 74.76 Å2; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 66.14 cm3; (14)Molar Volume: 192.6 cm3; (15)Polarizability: 26.22 ×10-24cm3; (16)Surface Tension: 60.7 dyne/cm; (17)Density: 1.434 g/cm3; (18)Flash Point: 288.4 °C; (19)Enthalpy of Vaporization: 83.41 kJ/mol; (20)Boiling Point: 553.3 °C at 760 mmHg; (21)Vapour Pressure: 2.75E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)CCC1N3C(=O)C4C2CCC(C2)C4C3=O
(2)InChI: InChI=1/C14H16N2O4/c17-9-4-3-8(12(18)15-9)16-13(19)10-6-1-2-7(5-6)11(10)14(16)20/h6-8,10-11H,1-5H2,(H,15,17,18)
(3)InChIKey: URPJPYAYMWPUPR-UHFFFAOYAG

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