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| CAS No.: | 147221-93-0 |
|---|---|
| Name: | DELAVIRDINE, MESYLATE |
| Molecular Structure: | |
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| Formula: | C22H28N6O3S.CH4SO3 |
| Molecular Weight: | 552.67 |
| Synonyms: | Piperazine, 1-[3-[(1-methylethyl)amino]-2-pyridinyl]-4-[[5-[(methylsulfonyl)amino]-1H-indol-2-yl]carbonyl]-;U 90152S;U-90152;Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-;N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide;Piperazine,1-[3-[(1-methylethyl)amino]-2- pyridinyl]-4-[[5-[(methylsulfonyl)amino]-1Hindol- 2-yl]carbonyl]-,monomethanesulfonate;DLV;methanesulfonic acid; N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide;1-(3-((1-Methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)piperazine;2-(4-(5-Methanesulfonamido-1H-indol-2-ylcarbonyl)-1-piperazinyl)-N-(1-methylethyl)-3-pyridinamine;Delavirdine mesilate;Rescriptor (TN);Rescriptor;Delavirdine mesylate; |
| Melting Point: | 118-120 °C |
| Boiling Point: | 732 °C at 760 mmHg |
| Flash Point: | 396.5 °C |
| Appearance: | Light Brown Solid |
| PSA: | 181.56000 |
| LogP: | 4.53160 |
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Specification
The Delavirdine mesylate, with the CAS registry number 147221-93-0, is also known as 2-(4-(5-Methanesulfonamido-1H-indol-2-ylcarbonyl)-1-piperazinyl)-N-(1-methylethyl)-3-pyridinamine. It belongs to the product categories of Anti-viral Compounds; Anti-virals; Inhibitors; Intermediates & Fine Chemicals; Non-nucleoside Reverse Transcriptase; Pharmaceuticals. This chemical's molecular formula is C22H28N6O3S.CH4SO3 and molecular weight is 552.67. What's more, its systematic name is N-[2-({4-[3-(Isopropylamino)-2-pyridinyl]-1-piperazinyl}carbonyl)-1H-indol-5-yl]methanesulfonamide methanesulfonate (1:1). Its classification codes are: (1)Antiviral; (2)Non-nucleoside reverse transcriptase inhibitor. This chemical is a potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1.
Physical properties of Delavirdine mesylate are: (1)ACD/LogP: -0.843; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 90.37 Å2; (7)Flash Point: 396.5 °C; (8)Enthalpy of Vaporization: 106.84 kJ/mol; (9)Boiling Point: 732 °C at 760 mmHg; (10)Vapour Pressure: 2.74E-21 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)C.O=S(=O)(Nc1cc2cc(nc2cc1)C(=O)N4CCN(c3ncccc3NC(C)C)CC4)C
(2)Std. InChI: InChI=1S/C22H28N6O3S.CH4O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-5(2,3)4/h4-8,13-15,24-26H,9-12H2,1-3H3;1H3,(H,2,3,4)
(3)Std. InChIKey: MEPNHSOMXMALDZ-UHFFFAOYSA-N