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Screening compounds

Isooncinotine

Also known as 1H-Pyrido(1,2-j)(1,5,10)triazacyclodocosin-10(11H)-one, docosahydro-, (R)-, 1H-Pyrido[1,2-j][1,5,10]triazacyclodocosin-10(11H)-one, docosahydro-, (R)-, (22R)-1,6,10-triazabicyclo[20.4.0]hexacosan-11-one

CAS 21008-80-0Formula C23H45N3OMolar mass 379.63 g/mol
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Isooncinotine chemical structure, C23H45N3O, CAS 21008-80-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
21008-80-0
Formula
C23H45N3O
Molar mass
379.63 g/mol
HS code
293379
Category
Screening compounds

What is Isooncinotine?

Plain description, key identifiers and synonyms

Isooncinotine is a chemical substance with the molecular formula C23H45N3O and a molar mass of 379.63 g/mol. Its CAS registry number is 21008-80-0. The IUPAC name is (22R)-1,6,10-triazabicyclo[20.4.0]hexacosan-11-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(22R)-1,6,10-triazabicyclo[20.4.0]hexacosan-11-one
CAS number
21008-80-0 CAS number cross-checked
Molecular formula
C23H45N3O
InChIKey
PCCGPXUVEYTSFS-JOCHJYFZSA-N
InChI
InChI=1S/C23H45N3O/c27-23-16-8-6-4-2-1-3-5-7-14-22-15-9-11-20-26(22)21-12-10-17-24-18-13-19-25-23/h22,24H,1-21H2,(H,25,27)/t22-/m1/s1
Canonical SMILES
O=C1CCCCCCCCCCC2CCCCN2CCCCNCCCN1
Isomeric SMILES
C1CCCCCC(=O)NCCCNCCCCN2CCCC[C@H]2CCCC1

Synonyms

  • 1H-Pyrido(1,2-j)(1,5,10)triazacyclodocosin-10(11H)-one, docosahydro-, (R)-
  • 1H-Pyrido[1,2-j][1,5,10]triazacyclodocosin-10(11H)-one, docosahydro-, (R)-
  • (22R)-1,6,10-triazabicyclo[20.4.0]hexacosan-11-one
  • Docosahydro-1H-pyrido[1,2-j][1,5,10]triazacyclodocosin-10(11H)-one #
  • (20aR)-2,3,4,5,6,7,8,11,12,13,14,15,16,17,18,19,20,20a,21,22,23,24-Docosahydro-1H-pyrido[1,2-j][1,5,10]triazacyclodocosin-10-ol
  • 2,3,4,5,6,7,8,11,12,13,14,15,16,17,18,19,20,20a,21,22,23,24-Docosahydro-1H-pyrido[1,2-j][1,5,10]triazacyclodocosin-10-ol

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
379.63 g/molcalc.
Exact mass
379.3563 Dacalc.
LogP (octanol/water)
4.63calc.
Topological polar surface area
44.37 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
27calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
1calc.
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=C1CCCCCCCCCCC2CCCCN2CCCCNCCCN1

O=C1CCCCCCCCCCC2CCCCN2CCCCNCCCN1

2 rings, 27 atoms.

No other chemical in our database has 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.

Isooncinotine suppliers

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Isooncinotine 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 Isooncinotine is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Isooncinotine?

Isooncinotine is a chemical substance with the molecular formula C23H45N3O and a molar mass of 379.63 g/mol. Its CAS registry number is 21008-80-0. The IUPAC name is (22R)-1,6,10-triazabicyclo[20.4.0]hexacosan-11-one.

What is the CAS number of Isooncinotine?

The CAS registry number of Isooncinotine is 21008-80-0.

What is the molecular formula and weight of Isooncinotine?

The molecular formula of Isooncinotine is C23H45N3O and its molar mass is 379.63 g/mol.

What is Isooncinotine used for?

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

Is Isooncinotine hazardous?

No GHS hazard classification for Isooncinotine 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 Isooncinotine?

Isooncinotine is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isooncinotine?

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

What is the price of Isooncinotine?

Suppliers quote Isooncinotine 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 Isooncinotine

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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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