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Screening compounds

Avitriptan

Also known as 3-(3-(4-(5-Methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-N-methylindole-5-methanesulfonamide, avitriptanum, 3-(3-(4--(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-N-methyl-1H-indole-5-methanesulfonamide fumarate

CAS 151140-96-4Formula C22H30N6O3SMolar mass 458.59 g/mol
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Avitriptan chemical structure, C22H30N6O3S, CAS 151140-96-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
151140-96-4
Formula
C22H30N6O3S
Molar mass
458.59 g/mol
HS code
293590
Category
Screening compounds

What is Avitriptan?

Plain description, key identifiers and synonyms

Avitriptan is a member of tryptamines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CAS number
151140-96-4 CAS number cross-checked
Molecular formula
C22H30N6O3S
UNII
6RS056L04P
InChIKey
WRZVGHXUPBWIOO-UHFFFAOYSA-N
InChI
InChI=1S/C22H30N6O3S/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3
SMILES (canonical and isomeric)
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCCN3CCN(CC3)C4=NC=NC=C4OC

Synonyms

  • 3-(3-(4-(5-Methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-N-methylindole-5-methanesulfonamide
  • avitriptanum
  • 3-(3-(4--(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-N-methyl-1H-indole-5-methanesulfonamide fumarate
  • 1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
  • 1H-Indole-5-methanesulfonamide, 3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-N-methyl-
  • 1-(3-{3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl}-1H-indol-5-yl)-N-methylmethanesulfonamide
  • 1H-Indole-5-methanesulfonamide, 3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-N-methyl-
  • 151140-96-4 (free base)
  • BMS-180,048
  • 1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-N-methylmethanesulonamide
  • 1-3-3-4-(5-Methoxypyrimidin-4-Yl)Piperazin-1-YlPropyl-1H-Indol-5-Yl-N-Methylmethanesulfonamide
  • 4-(5-methoxy-4-pyrimidinyl)-1-[3-[5-[[(methylamino)sulfonyl]methyl]-1H-indol-3-yl]propyl]piperazine

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
458.59 g/molcalc.
Exact mass
458.21 Dacalc.
LogP (octanol/water)
1.77calc.
Topological polar surface area
103.5 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
9calc.
Heavy atoms
32calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1ccc2c(CCCN3CCN(c4ccncn4)CC3)c[nH]c2c1

c1ccc2c(CCCN3CCN(c4ccncn4)CC3)c[nH]c2c1

4 rings, 24 atoms.

6 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Avitriptan suppliers

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Avitriptan 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

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Avitriptan?

Avitriptan is a member of tryptamines.

What is the CAS number of Avitriptan?

The CAS registry number of Avitriptan is 151140-96-4.

What is the molecular formula and weight of Avitriptan?

The molecular formula of Avitriptan is C22H30N6O3S and its molar mass is 458.59 g/mol.

What is Avitriptan used for?

Known uses and roles of Avitriptan include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Avitriptan hazardous?

No GHS hazard classification for Avitriptan is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Avitriptan?

Avitriptan is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Avitriptan?

Post a free request on CompoundList and suppliers of Avitriptan will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Avitriptan?

Suppliers quote Avitriptan on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Avitriptan

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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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