103628-46-2
Product Name:
Sumatriptan
Formula:
C14H21N3O2S
Synonyms:
3-[2-(Dimethylamino)ethyl]-N-methyl-1H-indole-5-methanesulfonamide;Sumatriptan
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Melting Point | 169-170 |
Solubility | 40.3 [ug/mL] (The mean of the results at pH 7.4) |
LogP | 0.93 |
Dissociation Constants | 9.5 |
Collision Cross Section | 162.1 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
Kovats Retention Index | 2730 |
Other Experimental Properties | MW: 413.49; mp 165-166 °C /Sumatriptan succinate/ |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Health Hazard GHS08 |
GHS Hazard Statements |
H412:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 295.40 g/mol |
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XLogP3 | 0.9 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 6 |
Exact Mass | 295.13544809 g/mol |
Monoisotopic Mass | 295.13544809 g/mol |
Topological Polar Surface Area | 73.6 Ų |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Complexity | 405 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Sumatriptan is a sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults. It has a role as a serotonergic agonist and a vasoconstrictor agent. It is a sulfonamide and a member of tryptamines. It is functionally related to a N,N-dimethyltryptamine. It is a conjugate acid of a sumatriptan(1+).
RELATED SUPPLIERS
Vepan Pharmatech Pvt Ltd
1Y
product:[3-(2-Dimethylamino- ethyl)-1H-indol-5-yl] -N-methyl- methanesulfonamide