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Alkaloids

Bromotopsentin

Also known as Topsentin B 2, Topsentin B2, [5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-hydroxy-1H-indol-3-yl)methanone

CAS 112515-44-3Formula C20H13BrN4O2Molar mass 421.25 g/mol
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Bromotopsentin chemical structure, C20H13BrN4O2, CAS 112515-44-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
112515-44-3
Formula
C20H13BrN4O2
Molar mass
421.25 g/mol
HS code
293980
Category
Alkaloids

What is Bromotopsentin?

Plain description, key identifiers and synonyms

Bromotopsentin is an aromatic ketone that is imidazole that is substituted at positions 2 and 5 by (6-hydroxy-1H-indol-3-yl)carbonyl and 6-bromo-1H-indol-3-yl groups respectively. Isolated from Mediterranean shallow-water sponges Topsentia genetrix, and from Caribbean deep-sea sponges of the Halichondriidae family, it has antitumour and antiviral properties. Toxic to fish. It has a role as an antiviral agent, an antineoplastic agent and a marine metabolite. It is a member of imidazoles, an indole alkaloid, a bromoindole, an aromatic ketone and a member of hydroxyindoles.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-hydroxy-1H-indol-3-yl)methanone
CAS number
112515-44-3 CAS number cross-checked
Molecular formula
C20H13BrN4O2
InChIKey
YHGQVXFIJGWOFP-UHFFFAOYSA-N
InChI
InChI=1S/C20H13BrN4O2/c21-10-1-3-12-14(7-22-16(12)5-10)18-9-24-20(25-18)19(27)15-8-23-17-6-11(26)2-4-13(15)17/h1-9,22-23,26H,(H,24,25)
SMILES (canonical and isomeric)
C1=CC2=C(C=C1O)NC=C2C(=O)C3=NC=C(N3)C4=CNC5=C4C=CC(=C5)Br

Synonyms

  • Topsentin B 2
  • Topsentin B2
  • [5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-hydroxy-1H-indol-3-yl)methanone
  • [4-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl](6-hydroxy-1H-indol-3-yl)methanone
  • Methanone, (5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl)(6-hydroxy-1H-indol-3-yl)-
  • (4-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl)(6-hydroxy-1H-indol-3-yl)methanone
  • (5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl)-(6-hydroxy-1H-indol-3-yl)methanone
  • 6-Hydroxy-3-[4-(6-bromoindol-3-ylimidazol-2-yl)carbonyl]indole
  • [4-(6-Bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-hydroxy-1H-indol-3-yl)-methanone
  • [4-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-hydroxy-1H-indol-3-yl)methanone
  • [5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl](6-hydroxy-1H-indol-3-yl)methanone
  • [5-(6-Bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(6-hydroxy-1H-indol-3-yl)-methanone

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
421.25 g/molcalc.
Exact mass
420.0222 Dacalc.
LogP (octanol/water)
4.74calc.
Topological polar surface area
97.56 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
27calc.
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.

Bromotopsentin suppliers

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Bromotopsentin 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

Roles

  • antimicrobial agent
  • antineoplastic agent
  • antiviral agent
  • marine metabolite
  • metabolite
  • 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 Bromotopsentin is traded under.

HS 2939.80Indicative HS code

Natural or reproduced by synthesis, and their salts, esters and other derivatives not elsewhere classified…

World exports in 2024
$49.3M
+13.2% vs 2023, imports $61.4M
2019 to 2024
Top exporters
  1. China31.7%
  2. India * partner reported23.1%
  3. South Africa7.8%
Top importers
  1. Austria28.6%
  2. United States11.9%
  3. United Kingdom7.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Bromotopsentin is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Bromotopsentin?

Bromotopsentin is an aromatic ketone that is imidazole that is substituted at positions 2 and 5 by (6-hydroxy-1H-indol-3-yl)carbonyl and 6-bromo-1H-indol-3-yl groups respectively.

What is the CAS number of Bromotopsentin?

The CAS registry number of Bromotopsentin is 112515-44-3.

What is the molecular formula and weight of Bromotopsentin?

The molecular formula of Bromotopsentin is C20H13BrN4O2 and its molar mass is 421.25 g/mol.

What is Bromotopsentin used for?

Known uses and roles of Bromotopsentin include antimicrobial agent, antineoplastic agent, antiviral agent, marine metabolite, metabolite and 1 more.

Is Bromotopsentin hazardous?

No GHS hazard classification for Bromotopsentin 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 Bromotopsentin?

Bromotopsentin is usually classified under HS code 293980 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bromotopsentin?

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What is the price of Bromotopsentin?

Suppliers quote Bromotopsentin 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

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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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