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Screening compounds

Itrocainide

Also known as itrocainida, N-(2-(Diethylamino)ethyl)-1-o-tolyl-4-isoquinolinecarboxamide, itrocainidum

CAS 90828-99-2Formula C23H27N3OMolar mass 361.49 g/mol
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Itrocainide chemical structure, C23H27N3O, CAS 90828-99-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
90828-99-2
Formula
C23H27N3O
Molar mass
361.49 g/mol
HS code
293349
Category
Screening compounds

What is Itrocainide?

Plain description, key identifiers and synonyms

Itrocainide is a chemical substance with the molecular formula C23H27N3O and a molar mass of 361.49 g/mol. Its CAS registry number is 90828-99-2. The IUPAC name is N-[2-(diethylamino)ethyl]-1-(2-methylphenyl)isoquinoline-4-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[2-(diethylamino)ethyl]-1-(2-methylphenyl)isoquinoline-4-carboxamide
CAS number
90828-99-2 CAS number cross-checked
Molecular formula
C23H27N3O
UNII
79EDP2VHY8
InChIKey
OIMMXIJXYSXFKM-UHFFFAOYSA-N
InChI
InChI=1S/C23H27N3O/c1-4-26(5-2)15-14-24-23(27)21-16-25-22(18-11-7-6-10-17(18)3)20-13-9-8-12-19(20)21/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,27)
SMILES (canonical and isomeric)
CCN(CC)CCNC(=O)C1=CN=C(C2=CC=CC=C21)C3=CC=CC=C3C

Synonyms

  • itrocainida
  • N-(2-(Diethylamino)ethyl)-1-o-tolyl-4-isoquinolinecarboxamide
  • itrocainidum
  • N-[2-(diethylamino)ethyl]-1-(2-methylphenyl)isoquinoline-4-carboxamide
  • N-(2-(Diethylamino)ethyl)-1-o-tolyl-4-isoquinolinecarboxamide.

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
361.49 g/molcalc.
Exact mass
361.2154 Dacalc.
LogP (octanol/water)
4.28calc.
Topological polar surface area
45.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
7calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.3calc.
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, c1ccc(-c2nccc3ccccc23)cc1

c1ccc(-c2nccc3ccccc23)cc1

3 rings, 16 atoms, the 1-Phenylisoquinoline ring system.

155 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.

Itrocainide suppliers

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Itrocainide 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 Itrocainide is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Itrocainide?

Itrocainide is a chemical substance with the molecular formula C23H27N3O and a molar mass of 361.49 g/mol. Its CAS registry number is 90828-99-2. The IUPAC name is N-[2-(diethylamino)ethyl]-1-(2-methylphenyl)isoquinoline-4-carboxamide.

What is the CAS number of Itrocainide?

The CAS registry number of Itrocainide is 90828-99-2.

What is the molecular formula and weight of Itrocainide?

The molecular formula of Itrocainide is C23H27N3O and its molar mass is 361.49 g/mol.

What is Itrocainide used for?

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

Is Itrocainide hazardous?

No GHS hazard classification for Itrocainide 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 Itrocainide?

Itrocainide is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Itrocainide?

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

What is the price of Itrocainide?

Suppliers quote Itrocainide 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 Itrocainide

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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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