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Screening compounds

Asterrelenin

Also known as (2S,10R,12S)-3-acetyl-12-hydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione, (2S,10R,12S)-3-acetyl-12-hydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo(10.9.0.02,10.04,9.015,20)henicosa-4,6,8,15,17,19-hexaene-13,21-dione

CAS 865092-90-6Formula C25H25N3O4Molar mass 431.49 g/mol
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Asterrelenin chemical structure, C25H25N3O4, CAS 865092-90-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
865092-90-6
Formula
C25H25N3O4
Molar mass
431.49 g/mol
HS code
293379
Category
Screening compounds

What is Asterrelenin?

Plain description, key identifiers and synonyms

Asterrelenin is a pyrroloindole.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,10R,12S)-3-acetyl-12-hydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
CAS number
865092-90-6
Molecular formula
C25H25N3O4
InChIKey
VQSXFZXCXRKORH-CAOCKLPOSA-N
InChI
InChI=1S/C25H25N3O4/c1-5-23(3,4)24-14-25(32)21(31)26-18-12-8-6-10-16(18)20(30)28(25)22(24)27(15(2)29)19-13-9-7-11-17(19)24/h5-13,22,32H,1,14H2,2-4H3,(H,26,31)/t22-,24+,25-/m0/s1
Canonical SMILES
C=CC(C)(C)C12CC3(O)C(=O)Nc4ccccc4C(=O)N3C1N(C(C)=O)c1ccccc12
Isomeric SMILES
CC(=O)N1[C@@H]2[C@@](C[C@]3(N2C(=O)C4=CC=CC=C4NC3=O)O)(C5=CC=CC=C51)C(C)(C)C=C

Synonyms

  • (2S,10R,12S)-3-acetyl-12-hydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
  • (2S,10R,12S)-3-acetyl-12-hydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo(10.9.0.02,10.04,9.015,20)henicosa-4,6,8,15,17,19-hexaene-13,21-dione

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
431.49 g/molcalc.
Exact mass
431.1845 Dacalc.
LogP (octanol/water)
3.02calc.
Topological polar surface area
89.95 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
32calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
3calc.
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=C1Nc2ccccc2C(=O)N2C1CC1c3ccccc3NC12

O=C1Nc2ccccc2C(=O)N2C1CC1c3ccccc3NC12

5 rings, 23 atoms.

3 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.

Asterrelenin suppliers

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Asterrelenin 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 Asterrelenin 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 Asterrelenin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Asterrelenin?

Asterrelenin is a pyrroloindole.

What is the CAS number of Asterrelenin?

The CAS registry number of Asterrelenin is 865092-90-6.

What is the molecular formula and weight of Asterrelenin?

The molecular formula of Asterrelenin is C25H25N3O4 and its molar mass is 431.49 g/mol.

What is Asterrelenin used for?

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

Is Asterrelenin hazardous?

No GHS hazard classification for Asterrelenin 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 Asterrelenin?

Asterrelenin 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 Asterrelenin?

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

What is the price of Asterrelenin?

Suppliers quote Asterrelenin 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 Asterrelenin

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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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