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Screening compounds

Apinaca

Also known as N-(1-Adamantyl)-1-pentyl-1H-indazole-3-carboxamide, AKB 48, N-(1-adamantyl)-1-pentylindazole-3-carboxamide

CAS 1345973-53-6Formula C23H31N3OMolar mass 365.52 g/molEC 971-498-3
Prohibited, not for trade
Why it is not for trade
Apinaca chemical structure, C23H31N3O, CAS 1345973-53-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1345973-53-6
Formula
C23H31N3O
Molar mass
365.52 g/mol
EC number
971-498-3
HS code
293399
Category
Screening compounds

What is Apinaca?

Plain description, key identifiers and synonyms

AKB48 is a member of indazoles and an aromatic amide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-(1-adamantyl)-1-pentylindazole-3-carboxamide
CAS number
1345973-53-6 CAS number cross-checked
EC number
971-498-3
Molecular formula
C23H31N3O
UNII
MHR0400Y84
InChIKey
UCTCCIPCJZKWEZ-UHFFFAOYSA-N
InChI
InChI=1S/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)
SMILES (canonical and isomeric)
CCCCCN1C2=CC=CC=C2C(=N1)C(=O)NC34CC5CC(C3)CC(C5)C4

Synonyms

  • N-(1-Adamantyl)-1-pentyl-1H-indazole-3-carboxamide
  • AKB 48
  • N-(1-adamantyl)-1-pentylindazole-3-carboxamide
  • DEA No. 7048
  • Akb-48 (apinaca)
  • AKB48-d9
  • AKB48 (1.0 mg/mL in Methanol)
  • AKB-48, APINACA, N-(1-Adamantyl)-1-pentyl-1H-indazole-3-carboxamide, 1-Pentyl-N-tricyclo[3.3.1.1(3),7]dec-1-yl-1H-indazole-3-carboxamide
  • AKB48 (1 mg/mL in Methanol)
  • AKB-48 (APINACA), 1mg/ml in Methanol
  • AKB-48 (APINACA), 0.1mg/ml in Methanol
  • N-(1-Adamantyl)-1-pentyl-indazole-3-carboxamide
  • N-(Adamantan-1-yl)-1-pentyl-1H-indazole-3-carboxamide
  • AKB-48 (APINACA, N-(1-Adamantyl)-1-pentyl-1H-indazole-3-carboxamide)
  • APINACA (AKB-48), 100 mug/mL in methanol, certified reference material
  • 1-Pentyl-N-tricyclo(3.3.1.13,7)dec-1-yl-1H-indazole-3-carboxamide
  • 1-Pentyl-N-tricyclo[3.3.1.13,7]dec-1-yl-1H-indazole-3-carboxamide, APINACA
  • 1H-Indazole-3-carboxamide, 1-pentyl-N-tricyclo(3.3.1.13,7)dec-1-yl-
  • AKB-48 (APINACA, N-(1-Adamantyl)-1-pentyl-1H-indazole-3-carboxamide) 0.1 mg/ml in Acetonitrile
  • AKB-48 (APINACA, N-(1-Adamantyl)-1-pentyl-1H-indazole-3-carboxamide) 1.0 mg/ml in Acetonitrile
  • AKB-48, APINACA, N-(1-Adamantyl)-1-pentyl-1H-indazole-3-carboxamide, 1-Pentyl-N-tricyclo[3.3.1.1 , ]dec-1-yl-1H-indazole-3-carboxamide

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)
4.93calc.
Topological polar surface area
46.92 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
6calc.
Heavy atoms
27calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.65calc.
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, O=C(NC12CC3CC(CC(C3)C1)C2)c1n[nH]c2ccccc12

O=C(NC12CC3CC(CC(C3)C1)C2)c1n[nH]c2ccccc12

6 rings, 22 atoms, the N-Tricyclo[3.3.1.13,7]dec-1-yl-1H-Indazole-3-carboxamide ring system.

11 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.

Apinaca suppliers

Trading restrictions apply to this substance

New psychoactive substance

Apinaca 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

Apinaca 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

Regulatory status

Inventories, regulations and trade controls that list this substance

New psychoactive substance

Apinaca 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

  • US DEA controlled substance or listed chemical
  • 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 Apinaca 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 Apinaca is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Apinaca?

AKB48 is a member of indazoles and an aromatic amide.

What is the CAS number of Apinaca?

The CAS registry number of Apinaca is 1345973-53-6.

What is the molecular formula and weight of Apinaca?

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

What is Apinaca used for?

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

Is Apinaca hazardous?

No GHS hazard classification for Apinaca 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 Apinaca?

Apinaca 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 Apinaca on CompoundList?

No. Apinaca 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 Apinaca

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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