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Heterocyclic building blocks

Simufilam

Also known as Filora, simufilamum, 1-Benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one

CAS 1224591-33-6Formula C15H21N3OMolar mass 259.35 g/mol
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Simufilam chemical structure, C15H21N3O, CAS 1224591-33-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1224591-33-6
Formula
C15H21N3O
Molar mass
259.35 g/mol
HS code
293339
Category
Heterocyclic building blocks

What is Simufilam?

Plain description, key identifiers and synonyms

Simufilam is a chemical substance with the molecular formula C15H21N3O and a molar mass of 259.35 g/mol. Its CAS registry number is 1224591-33-6. The IUPAC name is 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
CAS number
1224591-33-6
Molecular formula
C15H21N3O
UNII
6NV440YIO0
InChIKey
BSQPTZYKCAULBH-UHFFFAOYSA-N
InChI
InChI=1S/C15H21N3O/c1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3
SMILES (canonical and isomeric)
CN1CCC2(CC1)NCC(=O)N2CC3=CC=CC=C3

Synonyms

  • Filora
  • simufilamum
  • 1-Benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-one
  • 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
  • Simufilam (USAN)
  • WHO 11778
  • 1-benzyl-8-methyl-1,4,8-triazaspiro(4.5)decan-2-one
  • 1,4,8-Triazaspiro(4.5)decan-2-one, 8-methyl-1-(phenylmethyl)-
  • PTI-125 dihydrochloride
  • 1,4,8-Triazaspiro[4.5]decan-2-one, 8-methyl-1-(phenylmethyl)-
  • Simufilam PTI-125
  • 4,8-Triazaspiro[4.5]decan-2-one, 8-methyl-1-(phenylmethyl)-

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
259.35 g/molcalc.
Exact mass
259.1685 Dacalc.
LogP (octanol/water)
1.04calc.
Topological polar surface area
35.58 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.53calc.
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, O=C1CNC2(CCNCC2)N1Cc1ccccc1

O=C1CNC2(CCNCC2)N1Cc1ccccc1

3 rings, 18 atoms.

3 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.

Simufilam suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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  • Axon Medchem
    United States, RestonUnclaimed profile
    SimufilamGrade, purity and minimum order on request
    Price on request
    View

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Where suppliers are based

1 supplier in 1 country

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Simufilam price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

  • anti-inflammatory agent
  • antineoplastic agent
  • pharmaceutical

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 Simufilam is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Simufilam?

Simufilam is a chemical substance with the molecular formula C15H21N3O and a molar mass of 259.35 g/mol. Its CAS registry number is 1224591-33-6. The IUPAC name is 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one.

What is the CAS number of Simufilam?

The CAS registry number of Simufilam is 1224591-33-6.

What is the molecular formula and weight of Simufilam?

The molecular formula of Simufilam is C15H21N3O and its molar mass is 259.35 g/mol.

What is Simufilam used for?

Known uses and roles of Simufilam include building blocks in research and laboratory, screening compounds in research and laboratory, anti-inflammatory agent, antineoplastic agent and pharmaceutical.

Is Simufilam hazardous?

No GHS hazard classification for Simufilam 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 Simufilam?

Simufilam is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Simufilam?

CompoundList lists 1 supplier of Simufilam in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Simufilam?

Suppliers quote Simufilam 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 Simufilam

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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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