舒马曲坦

Description

Sumatriptan · CAS 103628-46-2 · C14H21N3O2S. UNII 8R78F6L9VO. Melting Point: 169-170; Melting Point: 169-171 °C; Melting Point: 169 - 171 °C.

Identification

CAS Registry Number	103628-46-2
PubChem CID	5358
Molecular formula	C14H21N3O2S
IUPAC name	1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
UNII (FDA)	8R78F6L9VO

Computed Descriptors

Molecular Weight	295.40
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	295.13544809
Monoisotopic Mass	295.13544809
Topological Polar Surface Area	73.6
Heavy Atom Count	20
Formal Charge	0

Physical & Chemical Properties

Melting Point	169-170
Melting Point	169-171 °C
Melting Point	169 - 171 °C
Solubility	54mg/mL
LogP	0.93
LogP	log Kow = 0.93
LogP	1.1
Dissociation Constants	9.5
Dissociation Constants	4.9

Physical description & handling notes

• Solid
• 40.3 [ug/mL] (The mean of the results at pH 7.4)
• 162.1 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
• MW: 413.49; mp 165-166 °C /Sumatriptan succinate/
• Sumatriptan constricts cranial blood vessels and prevents the release of vasoactive peptides. The dose of sumatriptan varies widely by route of administration and in most cases, no more than 2 doses should be given daily. Medication overuse headaches may occur in patients who use sumatriptan frequently.
• Formulations: (AHFS, 2009)

GHS Hazard Classification

Reported hazard statements	H319 (33.3%), H361 (50%), H412 (83.3%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >750
• Consumption (g per capita; approx.) in Germany (2009): 0.00916
• Consumption (g per capita) in the USA (2002): 0.00649
• For the treatment of migraine attacks with or without aura.
• Preparation: M. D. Dowle, I. H. Coates, DE 3320521; eidem, US 4816470; A. W. Oxford, GB 2162522 (1983, 1989, 1986 all to Glaxo).
• [3-[2-(dimethylamino)ethyl]]-2-[[3-[2-(dimethylamino)ethanyl]]-1H-indol-5-yl]]-N-methylmethane-sulphonamide

Synonyms

sumatriptan; 103628-46-2; Imitrex; Sumatran; Sumax; Imigran; Sumatriptanum; Imigran Recovery; 1-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide; 3-(2-(Dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide; DTXSID4023628; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide; 1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide; TOSYMRA; 8R78F6L9VO; DFN-11

Frequently Asked Questions

What are the CAS number and molecular formula of Sumatriptan?

CAS 103628-46-2; molecular formula C14H21N3O2S; molecular weight — g/mol.

What other names is Sumatriptan known by?

sumatriptan, 103628-46-2, Imitrex, Sumatran, Sumax, Imigran.

Is Sumatriptan classified as hazardous?

Hazard statements reported: H319, H361, H412.

What are the key physical properties of Sumatriptan?

Melting Point: 169-170; Melting Point: 169-171 °C; Melting Point: 169 - 171 °C; Solubility: 54mg/mL.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.