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Chemical substance record

Sumatriptan

103628-46-2C14H21N3O2S295.408 g/mol
Organic/Inorganic Small MoleculeChEBI source record

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. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number103628-46-2ChEBI ↗
Molecular formulaC14H21N3O2SChEBI ↗
Molar mass295.408 g/molChEBI ↗
Monoisotopic mass295.13545 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:10650ChEBI ↗

Cross-source molecular data

PubChem
Molar mass295.40 g/molPubChem ↗
Exact mass295.13544809 DaPubChem ↗
Computed XLogP0.9PubChem ↗
Topological polar surface area (Ų)73.6PubChem ↗
H-bond donors2PubChem ↗
H-bond acceptors4PubChem ↗
Rotatable bonds6PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
sumatriptan
1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide
KQKPFRSPSRPDEB-UHFFFAOYSA-N
CNS(=O)(=O)Cc1ccc2ncc(CCN(C)C)c2c1
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

Names & synonyms

1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamideImigranImitrexsumatriptanum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
tryptaminesChEBI parent class · 27162 ↗sulfonamideChEBI parent class · 35358 ↗
organosulfur compoundorganic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

analgesicserotonergic agonistvasoconstrictor agentanti-obesity agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00338515 mol

Uses 295.408 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 14 atoms
56.92%
N
Nitrogen · 3 atoms
14.22%
S
Sulfur · 1 atom
10.86%
O
Oxygen · 2 atoms
10.83%
H
Hydrogen · 21 atoms
7.17%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Chronopharmacokinetics of sumatriptan in healthy human subjects. ↗The Journal of pharmacy and pharmacology · 2000 Sep · PMID 11045888
Gastric motor effects of triptans: open questions and future perspectives. ↗Pharmacological research · 2001 Mar · PMID 11401410
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:10650

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 5358 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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