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| CAS No.: | 19171-19-8 |
|---|---|
| Name: | Pomalidomide |
| Article Data: | 49 |
| Molecular Structure: | |
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| Formula: | C13H11N3O4 |
| Molecular Weight: | 273.248 |
| Synonyms: | Phthalimide,3-amino-N-(2,6-dioxo-3-piperidyl)- (8CI);4-Amino-2-(2,6-dioxo-3-piperidinyl)isoindole-1,3-dione;4-Amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione;Actimid;Pomalidomide; |
| EINECS: | 805-902-5 |
| Density: | 1.57 g/cm3 |
| Melting Point: | 318.5 - 320.5° |
| Boiling Point: | 582.933 °C at 760 mmHg |
| Flash Point: | 306.347 °C |
| PSA: | 109.57000 |
| LogP: | 0.51790 |
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Specification
The Pomalidomide, with the CAS registry number 19171-19-8, is also known as 3-Amino-N-(2,6-dioxo-3-piperidyl)phthalimide. This chemical's molecular formula is C13H11N3O4 and molecular weight is 273.24. What's more, its IUPAC name is called 4-Amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione. Pomalidomide is a derivative of thalidomide that is anti-angiogenic and acts as an immunomodulator. It has been granted orphan drug status for the treatment of multiple myeloma.
Physical properties about Pomalidomide are: (1)ACD/LogP: -0.711; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 9.78; (8)ACD/KOC (pH 7.4): 9.78; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 109.57 Å2; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 66.591 cm3; (15)Molar Volume: 173.995 cm3; (16)Polarizability: 26.399×10-24cm3; (17)Surface Tension: 82.576 dyne/cm; (18)Density: 1.57 g/cm3; (19)Flash Point: 306.347 °C; (20)Enthalpy of Vaporization: 87.139 kJ/mol; (21)Boiling Point: 582.933 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C3NC(=O)CCC3N1C(=O)c2c(C1=O)cccc2N
(2) InChI: InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)
(3) InChIKey: UVSMNLNDYGZFPF-UHFFFAOYSA-N