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Screening compounds

Pyrabrom

Also known as SMP 68-40, Pyrabrom (USAN), 8-Bromotheophylline compound with 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)pyridine (1:1)

CAS 606-05-3Formula C24H30BrN7O3Molar mass 544.45 g/mol
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Pyrabrom chemical structure, C24H30BrN7O3, CAS 606-05-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
606-05-3
Formula
C24H30BrN7O3
Molar mass
544.45 g/mol
HS code
293339
Category
Screening compounds

What is Pyrabrom?

Plain description, key identifiers and synonyms

Pyrabrom is a chemical substance with the molecular formula C24H30BrN7O3 and a molar mass of 544.45 g/mol. Its CAS registry number is 606-05-3. The IUPAC name is 8-bromo-1,3-dimethyl-7H-purine-2,6-dione, N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
8-bromo-1,3-dimethyl-7H-purine-2,6-dione, N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CAS number
606-05-3 CAS number cross-checked
Molecular formula
C24H30BrN7O3
UNII
360MH2GO0I
InChIKey
XMOLCXIDFCGXAR-UHFFFAOYSA-N
InChI
InChI=1S/C17H23N3O.C7H7BrN4O2/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11H,12-14H2,1-3H3;1-2H3,(H,9,10)
SMILES (canonical and isomeric)
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br.CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2

Synonyms

  • SMP 68-40
  • Pyrabrom (USAN)
  • 8-Bromotheophylline compound with 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)pyridine (1:1)
  • Donasil
  • Glybrom
  • Mensalin
  • Parbrom
  • Sanbromal
  • Bromth
  • Pyrilamine 8-bromotheophyllinate
  • Pyranisamine 8-bromotheophyllinate
  • 8-Bromotheophylline compound with 2-[[2-dimethylamino)ethyl](p-methoxybenzyl)amino]pyridine (1:1)
  • Pyrabrom(USAN)
  • {2-[[2-(Dimethylamino)ethyl](p-methoxybenzyl)amino]pyridine} 8-bromotheophyllinate
  • 2-[[2-(Dimethylamino)ethyl](p-methoxybenzyl)amino]pyridine 8-bromotheophyllinate
  • 8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--N~1~-[(4-methoxyphenyl)methyl]-N~2~,N~2~-dimethyl-N~1~-(pyridin-2-yl)ethane-1,2-diamine (1/1)
  • 8-Bromo-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione compound with N~1~-(4-methoxybenzyl)-N~2~,N~2~-dimethyl-N~1~-(2-pyridinyl)-1,2-ethanediamine (1:1)
  • 8-bromo-1,3-dimethyl-9H-purine-2,6-dione, N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-pyridyl)ethane-1,2-diamine
  • 8-Bromotheophylline compound with {2-[[2-dimethylamino)ethyl](p-methoxybenzyl)amino]pyridine} (1:1)

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
544.45 g/molcalc.
Exact mass
543.1594 Dacalc.
LogP (octanol/water)
2.38calc.
Topological polar surface area
101.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
7calc.
Heavy atoms
35calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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, c1ccc(CNc2ccccn2)cc1

c1ccc(CNc2ccccn2)cc1

2 rings, 14 atoms, the 2-(Benzylamino)pyridine ring system.

753 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.

Pyrabrom suppliers

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  • 4Farmers
    Australia, WelshpoolUnclaimed profile
    PyrabromGrade, purity and minimum order on request
    Price on request
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Pyrabrom price

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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 Pyrabrom is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pyrabrom?

Pyrabrom is a chemical substance with the molecular formula C24H30BrN7O3 and a molar mass of 544.45 g/mol. Its CAS registry number is 606-05-3. The IUPAC name is 8-bromo-1,3-dimethyl-7H-purine-2,6-dione, N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

What is the CAS number of Pyrabrom?

The CAS registry number of Pyrabrom is 606-05-3.

What is the molecular formula and weight of Pyrabrom?

The molecular formula of Pyrabrom is C24H30BrN7O3 and its molar mass is 544.45 g/mol.

What is Pyrabrom used for?

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

Is Pyrabrom hazardous?

No GHS hazard classification for Pyrabrom 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 Pyrabrom?

Pyrabrom is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pyrabrom?

CompoundList lists 1 supplier of Pyrabrom in Australia. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pyrabrom?

Suppliers quote Pyrabrom on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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