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Sumatriptan

CAS 103628-46-2C14H21N3O2SMW 295.40

Sumatriptan (CAS 103628-46-2) — formula C14H21N3O2S, molecular weight 295.40; category organic chemicals.

Product Description

Sumatriptan (CAS 103628-46-2) is a chemical raw material in the organic chemicals category. Its molecular formula C14H21N3O2S comprises 14 C, 21 H, 3 N, 2 O, 1 S atoms. Its molecular weight is about 295.40. Reported physicochemical data: melting point around 169-170, LogP about 0.93. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.

Product Overview

CAS Number103628-46-2
Molecular FormulaC14H21N3O2S
Molecular Weight295.40
Melting Point169-170
LogP0.93
ApplicationsTHERAP CAT: Antimigraine, Use (kg, approx.) in Germany (2009): >750, Use (kg) in USA (2002): 1830, Consumption (g per capita, approx.) in Germany (2009): 0.00916
CategoryOrganic Chemicals

Applications

Documented applications: THERAP CAT: Antimigraine, Use (kg, approx.) in Germany (2009): >750, Use (kg) in USA (2002): 1830, Consumption (g per capita, approx.) in Germany (2009): 0.00916.

Technical Profile

What this product is

Sumatriptan is a carbon-based organic compound with CAS registry number 103628-46-2 and molecular formula C14H21N3O2S (molecular weight 295.40), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 103628-46-2

Its molecular formula C14H21N3O2S comprises 14 C, 21 H, 3 N, 2 O, 1 S atoms.

Also known as: Sumatriptan · 舒马曲坦

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Sumatriptan?

The CAS registry number of Sumatriptan is 103628-46-2.

What is the molecular formula and molecular weight of Sumatriptan?

Molecular formula C14H21N3O2S, molecular weight 295.40.

What other names is Sumatriptan known by?

It is also registered under: Sumatriptan, 舒马曲坦.

What are the documented applications of Sumatriptan?

Recorded applications: THERAP CAT: Antimigraine, Use (kg, approx.) in Germany (2009): >750, Use (kg) in USA (2002): 1830, Consumption (g per capita, approx.) in Germany (2009): 0.00916.

Which category does Sumatriptan belong to?

Category: Organic Chemicals.

Packaging & documentation

Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.

PubChem Public Data

Independent reference data for Sumatriptan (CAS 103628-46-2), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number103628-46-2
PubChem CID5358
Molecular formulaC14H21N3O2S
IUPAC name1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
UNII (FDA)8R78F6L9VO

Computed descriptors

Molecular Weight295.40
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass295.13544809
Monoisotopic Mass295.13544809
Topological Polar Surface Area73.6
Heavy Atom Count20

Physicochemical values on record

Melting Point169-170
Melting Point169-171 °C
Melting Point169 - 171 °C
Solubility54mg/mL
LogP0.93
LogPlog Kow = 0.93
LogP1.1
Dissociation Constants9.5
Dissociation Constants4.9

Documented uses on record

    Use (kg; approx.) in Germany (2009): >750Consumption (g per capita; approx.) in Germany (2009): 0.00916

    Synonyms and trade names

    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

    GHS hazard classification

    Reported hazard statementsH319 (33.3%), H361 (50%), H412 (83.3%)

    H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

    H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

    What the public record says

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

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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