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Initiators, curing agents and crosslinkers

Verruculogen

Also known as TR 1 toxin, TR 1, TR toxin

CAS 12771-72-1Formula C27H33N3O7Molar mass 511.58 g/molEC 634-189-1
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 2 suppliers listed
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Verruculogen chemical structure, C27H33N3O7, CAS 12771-72-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
12771-72-1
Formula
C27H33N3O7
Molar mass
511.58 g/mol
EC number
634-189-1
HS code
293499
Category
Initiators, curing agents and crosslinkers

What is Verruculogen?

Plain description, key identifiers and synonyms

Verruculogen is an organic heterohexacyclic compound that is a mycotoxic indole alkaloid isolated from Penicillium and Aspergillus species. It has a role as a mycotoxin, a GABA modulator, a potassium channel blocker, an Aspergillus metabolite and a Penicillium metabolite. It is a diol, an organic peroxide, an aromatic ether, an indole alkaloid and an organic heterohexacyclic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(9R,14S,17S,23R,24S)-23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
CAS number
12771-72-1 CAS number cross-checked
EC number
634-189-1
Molecular formula
C27H33N3O7
InChIKey
LRXYHMMJJCTUMY-GWXUGYLUSA-N
InChI
InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1
Canonical SMILES
COc1ccc2c3c4n(c2c1)C(C=C(C)C)OOC(C)(C)CC4N1C(=O)C2CCCN2C(=O)C1(O)C3O
Isomeric SMILES
CC(=C[C@@H]1N2C3=C(C=CC(=C3)OC)C4=C2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)C

Synonyms

  • TR 1 toxin
  • TR 1
  • TR toxin
  • TR1 toxin
  • Verruculogen, powder

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
511.58 g/molcalc.
Exact mass
511.2319 Dacalc.
LogP (octanol/water)
2.86calc.
Topological polar surface area
113.7 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
37calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
5calc.
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=C1C2Cc3c4n(c5ccccc35)COOCCC4N2C(=O)C2CCCN12

O=C1C2Cc3c4n(c5ccccc35)COOCCC4N2C(=O)C2CCCN12

6 rings, 27 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H331Toxic if inhaled.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Verruculogen suppliers

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

All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Verruculogen 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

  • Aspergillus metabolite
  • GABA agent
  • GABA modulator
  • Penicillium metabolite
  • biophysical role
  • eukaryotic metabolite
  • fungal metabolite
  • membrane transport modulator
  • metabolite
  • mycotoxin
  • neurotransmitter agent
  • pharmaceutical
  • poison
  • potassium channel blocker
  • potassium channel modulator
  • toxin

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 Verruculogen is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Verruculogen?

Verruculogen is an organic heterohexacyclic compound that is a mycotoxic indole alkaloid isolated from Penicillium and Aspergillus species. It has a role as a mycotoxin, a GABA modulator, a potassium channel blocker, an Aspergillus metabolite and a Penicillium metabolite.

Is Verruculogen hazardous?

Verruculogen carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic in contact with skin, toxic if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

Guides for buyers

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

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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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