1H-Indole-5-methanesulfonamide,3-[2-(dimethylamino)ethyl]-N-methyl-

The Sumatriptan with CAS registry number of 103628-46-2 is also known as . The IUPAC name is 1-[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide. It belongs to product categories of . Its EINECS registry number is Active Pharmaceutical Ingredients; Sumatriptan; API's. In addition, the formula is C₁₄H₂₁N₃O₂S and the molecular weight is 295.40. This chemical is a white to crystalline powder. What's more, it is used for the treatment of migraine.

Physical properties about Sumatriptan are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): -2.35; (3)ACD/LogD (pH 7.4): -1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 82.35 cm³; (13)Molar Volume: 237.6 cm³; (14)Surface Tension: 52.7 dyne/cm; (15)Density: 1.243 g/cm³; (16)Flash Point: 254.8 °C; (17)Enthalpy of Vaporization: 76.57 kJ/mol; (18)Boiling Point: 497.7 °C at 760 mmHg; (19)Vapour Pressure: 4.83E-10 mmHg at 25 °C.

Preparation of Sumatriptan: it is prepared by reaction of nitrile compound. The reaction occurs in the solution of dimethylamine and methanol. Besides, the hydrogenation reaction needs catalyst 10% palladium-carbon at room temperature for 24 hours.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C
2. InChI: InChI=1S/C14H21N3O2S/c1-15-20(18,
19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
3. InChIKey: KQKPFRSPSRPDEB-UHFFFAOYSA-N

The toxicity data is as follows: