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Screening compounds

Verruculogen TR 2

Also known as TR-2 Mycotoxin, TR-2 TOXIN, TR 2 toxin

CAS 51177-07-2Formula C22H27N3O6Molar mass 429.47 g/mol
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Verruculogen TR 2 chemical structure, C22H27N3O6, CAS 51177-07-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
51177-07-2
Formula
C22H27N3O6
Molar mass
429.47 g/mol
HS code
293359
Category
Screening compounds

What is Verruculogen TR 2?

Plain description, key identifiers and synonyms

TR-2 is a member of beta-carbolines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2S,12S,15S)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
CAS number
51177-07-2 CAS number cross-checked
Molecular formula
C22H27N3O6
UNII
RTC582PPE3
InChIKey
PIWNJAZCHHBADQ-MECALSEWSA-N
InChI
InChI=1S/C22H27N3O6/c1-21(2,29)10-15-17-16(12-7-6-11(31-3)9-13(12)23-17)18(26)22(30)20(28)24-8-4-5-14(24)19(27)25(15)22/h6-7,9,14-15,18,23,26,29-30H,4-5,8,10H2,1-3H3/t14-,15-,18-,22+/m0/s1
Canonical SMILES
COc1ccc2c3c([nH]c2c1)C(CC(C)(C)O)N1C(=O)C2CCCN2C(=O)C1(O)C3O
Isomeric SMILES
CC(C)(C[C@H]1C2=C([C@@H]([C@@]3(N1C(=O)[C@@H]4CCCN4C3=O)O)O)C5=C(N2)C=C(C=C5)OC)O

Synonyms

  • TR-2 Mycotoxin
  • TR-2 TOXIN
  • TR 2 toxin
  • TR 2
  • Tr-2

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
429.47 g/molcalc.
Exact mass
429.19 Dacalc.
LogP (octanol/water)
0.95calc.
Topological polar surface area
126.3 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
31calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C1C2Cc3c([nH]c4ccccc34)CN2C(=O)C2CCCN12

O=C1C2Cc3c([nH]c4ccccc34)CN2C(=O)C2CCCN12

5 rings, 22 atoms.

12 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.

Verruculogen TR 2 suppliers

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Verruculogen TR 2 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 Verruculogen TR 2 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Verruculogen TR 2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Verruculogen TR 2, based on the data on this page

What is Verruculogen TR 2?

TR-2 is a member of beta-carbolines.

What is the CAS number of Verruculogen TR 2?

The CAS registry number of Verruculogen TR 2 is 51177-07-2.

What is the molecular formula and weight of Verruculogen TR 2?

The molecular formula of Verruculogen TR 2 is C22H27N3O6 and its molar mass is 429.47 g/mol.

What is Verruculogen TR 2 used for?

Known uses and roles of Verruculogen TR 2 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Verruculogen TR 2 hazardous?

No GHS hazard classification for Verruculogen TR 2 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 Verruculogen TR 2?

Verruculogen TR 2 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Verruculogen TR 2?

Post a free request on CompoundList and suppliers of Verruculogen TR 2 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Verruculogen TR 2?

Suppliers quote Verruculogen TR 2 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 Verruculogen TR 2

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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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