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Screening compounds

Isotodesnitazene

Also known as 1H-Benzimidazole-1-ethanamine, N,N-diethyl-2-((4-(1-methylethoxy)phenyl)methyl), N,N-diethyl-2-[2-({4-[(propan-2-yl)oxy]phenyl}methyl)-1H-benzimidazol-1-yl]ethan-1-amine, N,N-diethyl-2-{2-[4-(propan-2-yloxy)benzyl]-1H-benzimidazol-1-yl}ethanamine

CAS 2732926-27-9Formula C23H31N3OMolar mass 365.52 g/mol
Prohibited, not for trade
Why it is not for trade
Isotodesnitazene chemical structure, C23H31N3O, CAS 2732926-27-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2732926-27-9
Formula
C23H31N3O
Molar mass
365.52 g/mol
HS code
293399
Category
Screening compounds

What is Isotodesnitazene?

Plain description, key identifiers and synonyms

Isotodesnitazene is a member of the class of benzimidazoles that is 1H-benzimidazole substituted by 2-(diethylamino)ethyl and 4-(propan-2-yloxy)benzyl groups at positions 1 and 2, respectively. It is a synthetic opioid. It has a role as an opioid analgesic and a mu-opioid receptor agonist. It is a member of benzimidazoles, an aromatic ether and a tertiary amino compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N,N-diethyl-2-[2-[(4-propan-2-yloxyphenyl)methyl]benzimidazol-1-yl]ethanamine
CAS number
2732926-27-9
Molecular formula
C23H31N3O
UNII
4BT3F5A8T6
InChIKey
MXCQZQAWFBUAJT-UHFFFAOYSA-N
InChI
InChI=1S/C23H31N3O/c1-5-25(6-2)15-16-26-22-10-8-7-9-21(22)24-23(26)17-19-11-13-20(14-12-19)27-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3
SMILES (canonical and isomeric)
CCN(CC)CCN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)OC(C)C

Synonyms

  • 1H-Benzimidazole-1-ethanamine, N,N-diethyl-2-((4-(1-methylethoxy)phenyl)methyl)
  • N,N-diethyl-2-[2-({4-[(propan-2-yl)oxy]phenyl}methyl)-1H-benzimidazol-1-yl]ethan-1-amine
  • N,N-diethyl-2-{2-[4-(propan-2-yloxy)benzyl]-1H-benzimidazol-1-yl}ethanamine

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
365.52 g/molcalc.
Exact mass
365.2467 Dacalc.
LogP (octanol/water)
4.76calc.
Topological polar surface area
30.29 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
9calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.44calc.
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(Cc2nc3ccccc3[nH]2)cc1

c1ccc(Cc2nc3ccccc3[nH]2)cc1

3 rings, 16 atoms, the Bendazol ring system.

335 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.

Isotodesnitazene suppliers

Trading restrictions apply to this substance

New psychoactive substance

Isotodesnitazene is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Convention on Psychotropic Substances 1971

Our policy on controlled substances

Isotodesnitazene price

Indicative price range per kg from live supplier offers

Prices are not shown for prohibited substances.

Uses and applications

What the substance is used for, by industry and function

Roles

  • agonist
  • analgesic
  • mu-opioid agent
  • mu-opioid receptor agonist
  • neurotransmitter agent
  • opioid agent
  • opioid analgesic
  • opioid receptor agonist
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

New psychoactive substance

Isotodesnitazene is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Convention on Psychotropic Substances 1971

Our policy on controlled substances

Controls

  • New psychoactive substance under control

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isotodesnitazene is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Isotodesnitazene?

Isotodesnitazene is a member of the class of benzimidazoles that is 1H-benzimidazole substituted by 2-(diethylamino)ethyl and 4-(propan-2-yloxy)benzyl groups at positions 1 and 2, respectively. It is a synthetic opioid. It has a role as an opioid analgesic and a mu-opioid receptor agonist.

What is the CAS number of Isotodesnitazene?

The CAS registry number of Isotodesnitazene is 2732926-27-9.

What is the molecular formula and weight of Isotodesnitazene?

The molecular formula of Isotodesnitazene is C23H31N3O and its molar mass is 365.52 g/mol.

What is Isotodesnitazene used for?

Known uses and roles of Isotodesnitazene include building blocks in research and laboratory, screening compounds in research and laboratory, agonist, analgesic, mu-opioid agent and 6 more.

Is Isotodesnitazene hazardous?

No GHS hazard classification for Isotodesnitazene 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 Isotodesnitazene?

Isotodesnitazene is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Can I buy Isotodesnitazene on CompoundList?

No. Isotodesnitazene is on our prohibited list, so listings, quotes and messages for it are disabled. This page is kept for information only.

Guides for buyers

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

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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