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Alkaloids

Bromodeoxytopsentin

Also known as [5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone, (5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl)-(1H-indol-3-yl)methanone, [4-(6-bromo-1h-indol-3-yl)-1h-imidazol-2-yl](1h-indol-3-yl)methanone

CAS 180633-55-0Formula C20H13BrN4OMolar mass 405.26 g/mol
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Bromodeoxytopsentin chemical structure, C20H13BrN4O, CAS 180633-55-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
180633-55-0
Formula
C20H13BrN4O
Molar mass
405.26 g/mol
HS code
293980
Category
Alkaloids

What is Bromodeoxytopsentin?

Plain description, key identifiers and synonyms

Bromodeoxytopsentin is an aromatic ketone that is imidazole which is substituted by a 1H-indole-3-carbonyl group and a 6-bromo-1H-indol-3-yl group at positions 2 and 4, respectively. Isolated from the Mediterranean shallow-water sponge, Topsentia genetrix. It is a potent inhibitor of MRSA pyruvate kinase and exhibits antibacterial properties. It has a role as an EC 2.7.1.40 (pyruvate kinase) inhibitor, an antibacterial agent and a marine metabolite. It is a member of imidazoles, an indole alkaloid, a bromoindole and an aromatic ketone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
CAS number
180633-55-0
Molecular formula
C20H13BrN4O
InChIKey
RMAWSNVDVKZXDX-UHFFFAOYSA-N
InChI
InChI=1S/C20H13BrN4O/c21-11-5-6-13-14(8-23-17(13)7-11)18-10-24-20(25-18)19(26)15-9-22-16-4-2-1-3-12(15)16/h1-10,22-23H,(H,24,25)
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C(=CN2)C(=O)C3=NC=C(N3)C4=CNC5=C4C=CC(=C5)Br

Synonyms

  • [5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
  • (5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl)-(1H-indol-3-yl)methanone
  • [4-(6-bromo-1h-indol-3-yl)-1h-imidazol-2-yl](1h-indol-3-yl)methanone
  • [5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl](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
405.26 g/molcalc.
Exact mass
404.0273 Dacalc.
LogP (octanol/water)
5.03calc.
Topological polar surface area
77.33 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
2calc.
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 (1 violation)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.

Bromodeoxytopsentin suppliers

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Bromodeoxytopsentin 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

  • antibacterial agent
  • antimicrobial agent
  • enzyme inhibitor
  • marine metabolite
  • metabolite

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 Bromodeoxytopsentin 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 Bromodeoxytopsentin is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Bromodeoxytopsentin?

Bromodeoxytopsentin is an aromatic ketone that is imidazole which is substituted by a 1H-indole-3-carbonyl group and a 6-bromo-1H-indol-3-yl group at positions 2 and 4, respectively. Isolated from the Mediterranean shallow-water sponge, Topsentia genetrix.

What is the CAS number of Bromodeoxytopsentin?

The CAS registry number of Bromodeoxytopsentin is 180633-55-0.

What is the molecular formula and weight of Bromodeoxytopsentin?

The molecular formula of Bromodeoxytopsentin is C20H13BrN4O and its molar mass is 405.26 g/mol.

What is Bromodeoxytopsentin used for?

Known uses and roles of Bromodeoxytopsentin include antibacterial agent, antimicrobial agent, enzyme inhibitor, marine metabolite and metabolite.

Is Bromodeoxytopsentin hazardous?

No GHS hazard classification for Bromodeoxytopsentin 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 Bromodeoxytopsentin?

Bromodeoxytopsentin 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 Bromodeoxytopsentin?

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

What is the price of Bromodeoxytopsentin?

Suppliers quote Bromodeoxytopsentin 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 Bromodeoxytopsentin

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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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