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Screening compounds

Brucinic acid

Also known as (7,8-Dimethoxy-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,7,9,17-tetraen-14-yl)acetic acid, 17-Norcuran-16-propanoic acid, 19,20-didehydro-I(2),18-epoxy-10,11-dimethoxy-, (2I(3/4),3I(3/4),7I(3/4),15I(3/4))-

CAS 468-25-7Formula C23H28N2O5Molar mass 412.49 g/mol
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Brucinic acid chemical structure, C23H28N2O5, CAS 468-25-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
468-25-7
Formula
C23H28N2O5
Molar mass
412.49 g/mol
HS code
293499
Category
Screening compounds

What is Brucinic acid?

Plain description, key identifiers and synonyms

Brucinic acid is a chemical substance with the molecular formula C23H28N2O5 and a molar mass of 412.49 g/mol. Its CAS registry number is 468-25-7. The IUPAC name is 2-(7,8-dimethoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-yl)acetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(7,8-dimethoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-yl)acetic acid
CAS number
468-25-7 CAS number cross-checkedOther or deprecated CAS: 1262035-62-0
Molecular formula
C23H28N2O5
InChIKey
RJTMEFDVTNQHTN-UHFFFAOYSA-N
InChI
InChI=1S/C23H28N2O5/c1-28-16-8-14-15(9-17(16)29-2)24-22-21-13-7-19-23(14,22)4-5-25(19)11-12(13)3-6-30-18(21)10-20(26)27/h3,8-9,13,18-19,21-22,24H,4-7,10-11H2,1-2H3,(H,26,27)
SMILES (canonical and isomeric)
COC1=C(C=C2C(=C1)C34CCN5C3CC6C(C4N2)C(OCC=C6C5)CC(=O)O)OC

Synonyms

  • (7,8-Dimethoxy-15-oxa-1,11-diazahexacyclo[16.3.1.0~4,12~.0~4,21~.0~5,10~.0~13,19~]docosa-5,7,9,17-tetraen-14-yl)acetic acid
  • 17-Norcuran-16-propanoic acid, 19,20-didehydro-I(2),18-epoxy-10,11-dimethoxy-, (2I(3/4),3I(3/4),7I(3/4),15I(3/4))-

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
412.49 g/molcalc.
Exact mass
412.1998 Dacalc.
LogP (octanol/water)
2.26calc.
Topological polar surface area
80.26 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
6calc.
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, C1=C2CN3CCC45c6ccccc6NC4C(COC1)C2CC35

C1=C2CN3CCC45c6ccccc6NC4C(COC1)C2CC35

6 rings, 22 atoms.

12 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.

Brucinic acid suppliers

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Brucinic acid 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 Brucinic acid is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Brucinic acid, based on the data on this page

What is Brucinic acid?

Brucinic acid is a chemical substance with the molecular formula C23H28N2O5 and a molar mass of 412.49 g/mol. Its CAS registry number is 468-25-7. The IUPAC name is 2-(7,8-dimethoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-yl)acetic acid.

What is the CAS number of Brucinic acid?

The CAS registry number of Brucinic acid is 468-25-7. Other or deprecated CAS numbers: 1262035-62-0.

What is the molecular formula and weight of Brucinic acid?

The molecular formula of Brucinic acid is C23H28N2O5 and its molar mass is 412.49 g/mol.

What is Brucinic acid used for?

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

Is Brucinic acid hazardous?

No GHS hazard classification for Brucinic acid 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 Brucinic acid?

Brucinic acid is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Brucinic acid?

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

What is the price of Brucinic acid?

Suppliers quote Brucinic acid 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 Brucinic acid

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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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