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Zolmitriptan chemical structure, C16H21N3O2, CAS 139264-17-8
2D chemical structure

Key facts

What buyers check first

CAS number
139264-17-8
Formula
C16H21N3O2
Molar mass
287.36 g/mol
EC number
629-919-0
HS code
293499
Category
Analgesics and anti-inflammatories

What is Zolmitriptan?

Plain description, key identifiers and synonyms

Zolmitriptan is a member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine. It has a role as an anti-inflammatory drug, a serotonergic agonist and a vasoconstrictor agent. It is a member of tryptamines and an oxazolidinone. It is functionally related to a N,N-dimethyltryptamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CAS number
139264-17-8 CAS number cross-checkedOther or deprecated CAS: 139264-25-8
EC number
629-919-0
Molecular formula
C16H21N3O2
UNII
2FS66TH3YW
MDL number
MFCD00871503
InChIKey
ULSDMUVEXKOYBU-ZDUSSCGKSA-N
InChI
InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
Canonical SMILES
CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12
Isomeric SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3

Synonyms

  • Zomig
  • Zomigoro
  • Zomig-ZMT
  • AscoTop
  • zolmitriptanum
  • Cvt-427
  • (4S)-4-({3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one
  • (4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
  • 4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-2-oxazolidinone
  • (S)-4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-2-oxazolidinone
  • 2-Oxazolidinone, 4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-, (S)-
  • 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]oxazolidin-2-one
  • (S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone
  • (4S)-4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
  • Zolmiptriptan
  • Zolmitriptan OD
  • 4-((3-(2-dimethylaminoethyl)-1H-indol-5-yl)methyl)oxazolidin-2-one
  • (4S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1,3-oxazolidin-2-one
  • (4S)-4-((3-(2-dimethylaminoethyl)-1H-indol-5-yl)methyl)-1,3-oxazolidin-2-one
  • (S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1,3-oxazolidin-2-one
  • (S)-4-({3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one
  • 2-Oxazolidinone, 4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-,(S)-
  • Flezol
  • (S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)oxazolidin-2-one
  • (S)-4-[3-(2-Dimethylamino-ethyl)-1H-indol-5-ylmethyl]-oxazolidin-2-one
Show all 37 synonyms
  • 2-Oxazolidinone, 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-
  • Zomigon
  • Zomig Nasal Spray
  • Zomig ZMT
  • (S)-4-((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)-2-oxazolidinone
  • (4S)-4-[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone
  • zipton
  • zolmitriptane
  • zominat
  • Rapimelt
  • (4S)-4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-2-oxazolidinone
  • Zomig (TN)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
287.36 g/molcalc.
Exact mass
287.1634 Dacalc.
LogP (octanol/water)
1.92calc.
Topological polar surface area
57.36 ร…ยฒcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1NC(Cc2ccc3[nH]ccc3c2)CO1

O=C1NC(Cc2ccc3[nH]ccc3c2)CO1

3 rings, 16 atoms.

19 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H371May cause damage to organs.
Precautionary statements (21)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P308 + P316If exposed or concerned: Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Zolmitriptan suppliers

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Zolmitriptan price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Serotonin 5-HT1 Receptor Agonists

Roles

  • anti-inflammatory agent
  • anti-inflammatory drug
  • cardiovascular drug
  • neurotransmitter agent
  • pharmaceutical
  • serotonergic agonist
  • serotonergic drug
  • vasoconstrictor agent

Pharmacology

Zolmitriptan is a Serotonin-1b and Serotonin-1d Receptor Agonist. The mechanism of action of zolmitriptan is as a Serotonin 1b Receptor Agonist and Serotonin 1d Receptor Agonist.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Zolmitriptan is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Zolmitriptan is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Zolmitriptan, based on the data on this page

What is Zolmitriptan?

Zolmitriptan is a member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine.

What is the CAS number of Zolmitriptan?

The CAS registry number of Zolmitriptan is 139264-17-8. Other or deprecated CAS numbers: 139264-25-8.

What is the molecular formula and weight of Zolmitriptan?

The molecular formula of Zolmitriptan is C16H21N3O2 and its molar mass is 287.36 g/mol.

What is Zolmitriptan used for?

Known uses and roles of Zolmitriptan include anti-inflammatories in pharmaceuticals, anti-inflammatory agent, anti-inflammatory drug, cardiovascular drug, neurotransmitter agent and 5 more.

Is Zolmitriptan hazardous?

Zolmitriptan carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Zolmitriptan?

Zolmitriptan is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclicโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Zolmitriptan?

CompoundList lists 122 suppliers of Zolmitriptan in United States, China, India, Germany and 15 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Zolmitriptan in India?

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What is the price of Zolmitriptan?

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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