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Screening compounds

Topsentin

Also known as (6-hydroxy-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone, (6-hydroxy-1H-indol-3-yl)-(5-(1H-indol-3-yl)-1H-imidazol-2-yl)methanone, Methanone,(6-hydroxy-1H-indol-3-yl)[5-(1H-indol-3-yl)-1H-imidazol-2-yl]-

CAS 112515-43-2Formula C20H14N4O2Molar mass 342.36 g/mol
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Topsentin chemical structure, C20H14N4O2, CAS 112515-43-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
112515-43-2
Formula
C20H14N4O2
Molar mass
342.36 g/mol
HS code
293329
Category
Screening compounds

What is Topsentin?

Plain description, key identifiers and synonyms

Topsentin has been reported in Spongosorites genitrix.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6-hydroxy-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone
CAS number
112515-43-2 CAS number cross-checked
Molecular formula
C20H14N4O2
UNII
UDN7ZE867Z
InChIKey
TVPNFKRGOFJQOO-UHFFFAOYSA-N
InChI
InChI=1S/C20H14N4O2/c25-11-5-6-13-15(9-22-17(13)7-11)19(26)20-23-10-18(24-20)14-8-21-16-4-2-1-3-12(14)16/h1-10,21-22,25H,(H,23,24)
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C(=CN2)C3=CN=C(N3)C(=O)C4=CNC5=C4C=CC(=C5)O

Synonyms

  • (6-hydroxy-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone
  • (6-hydroxy-1H-indol-3-yl)-(5-(1H-indol-3-yl)-1H-imidazol-2-yl)methanone
  • Methanone,(6-hydroxy-1H-indol-3-yl)[5-(1H-indol-3-yl)-1H-imidazol-2-yl]-
  • Topsentine B 1
  • (6-hydroxy-1H-indol-3-yl)[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone
  • Topsentin B1
  • Methanone, (6-hydroxy-1H-indol-3-yl)(4-(1H-indol-3-yl)-1H-imidazol-2-yl)-
  • 6-Hydroxy-3-[(4-indol-3-ylimidazol-2-yl)carbonyl]indole
  • (5-(1H-Indol-3-yl)-1H-imidazol-2-yl)(6-hydroxy-1H-indol-3-yl)methanone
  • (6-hydroxy-1H-indol-3-yl)-[4-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone
  • (6-Hydroxy-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]-methanone
  • Methanone, (6-hydroxy-1H-indol-3-yl)[5-(1H-indol-3-yl)-1H-imidazol-2-yl]-

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
342.36 g/molcalc.
Exact mass
342.1117 Dacalc.
LogP (octanol/water)
3.98calc.
Topological polar surface area
97.56 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
26calc.
Rings
5calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0calc.
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=C(c1ncc(-c2c[nH]c3ccccc23)[nH]1)c1c[nH]c2ccccc12

O=C(c1ncc(-c2c[nH]c3ccccc23)[nH]1)c1c[nH]c2ccccc12

5 rings, 25 atoms, the Deoxytopsentin ring system.

4 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.

Topsentin suppliers

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Topsentin 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 Topsentin is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Topsentin?

Topsentin has been reported in Spongosorites genitrix.

What is the CAS number of Topsentin?

The CAS registry number of Topsentin is 112515-43-2.

What is the molecular formula and weight of Topsentin?

The molecular formula of Topsentin is C20H14N4O2 and its molar mass is 342.36 g/mol.

What is Topsentin used for?

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

Is Topsentin hazardous?

No GHS hazard classification for Topsentin 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 Topsentin?

Topsentin is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Topsentin?

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

What is the price of Topsentin?

Suppliers quote Topsentin 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 Topsentin

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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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