CompoundList

Brucine

Also known as 10,11-Dimethoxystrychnine, Brucinum, 2,3-Dimethoxystrychnine

Brucine chemical structure, C23H26N2O4, CAS 357-57-3
2D chemical structure

Key facts

What buyers check first

Appearance
Needles from acetone + water
Melting point
178 °C
Boiling point
470 °C
Density
Greater than 1 at 68 °F
Solubility
Crystals. Sol in water or alcohol. The solns are neutral or slightly acid. /Hydrochloride/
HS code
293979
Category
Alkaloids
UN number
UN 1570
Illustrative photo, closed blue fibre drums on a pallet in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Brucine?

Plain description, key identifiers and synonyms

Brucine is an organic heteroheptacyclic compound and a monoterpenoid indole alkaloid.

Brucine is an alkaloid closely related to strychnine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
CAS number
357-57-3 CAS number cross-checked
EC number
206-614-7
Molecular formula
C23H26N2O4
UNII
6NG17YCK6H
MDL number
MFCD00149384
InChIKey
RRKTZKIUPZVBMF-IBTVXLQLSA-N
InChI
InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1
Canonical SMILES
COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43
Isomeric SMILES
COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC

Synonyms

  • 10,11-Dimethoxystrychnine
  • Brucinum
  • 2,3-Dimethoxystrychnine
  • (-)-Brucine
  • 2,3-Dimethoxystrychnidin-10-one
  • Bruzin
  • l-Brucine
  • Brucine alkaloid
  • Strychnidin-10-one, 2,3-dimethoxy-
  • 10,11-Dimethystrychnine
  • Brucina
  • 2,3-Dimethoxy-strychnine
  • Strychnine, 2,3-dimethoxy-
  • Dimethoxy strychnine
  • dimethoxystrychnine
  • (1R,11S,18S,20R,21R,22S)-4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo(15.5.2.0^(1,18).0^(2,7).0^(8,22).0^(11,21).0^(15,20))tetracosa-2(7),3,5,14-tetraen-9-one
  • (1R,11S,18S,20R,21R,22S)-4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-9-one
  • 4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo(15.5.2.01,18.02,7.08,22.011,21.015,20)tetracosa-2(7),3,5,14-tetraen-9-one
  • Brucine, Anhydrous
  • RCRA waste number P018
  • Brucine Anhydrous
  • Brucin
  • 10,11-dimethoxy strychnine
  • anhydrous brucine
  • Bisdesmethylbrucin
Show all 30 synonyms
  • Brucine CRS
  • UN 1570
  • RCRA waste no. P018
  • Brucine, anhydrous, 98%
  • ACon1_001990

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

Appearance
Needles from acetone + waterexp.
Odour
Odorlessexp.
Taste
Very bitter tasteexp.
Melting point
178 °Cexp.
Boiling point
470 °Cexp.
Density
Greater than 1 at 68 °Fexp.
Solubility
Crystals. Sol in water or alcohol. The solns are neutral or slightly acid. /Hydrochloride/exp.

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
394.47 g/molcalc.
Exact mass
394.1893 Dacalc.
LogP (octanol/water)
2.11calc.
Topological polar surface area
51.24 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
29calc.
Rings
7calc.
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, O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46

O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46

7 rings, 25 atoms.

93 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
  • H330Fatal if inhaled.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (15)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 1570
Transport hazard class
6.1
Packing group
I

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Brucine suppliers

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Brucine 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

Denaturant for ethanol, reagent for separating racemic mixtures.

Rodent poison.

The most common denaturant (for ethanol) used now ... In cosmetic preparations ...

Veterinary medication:.

Pharmacological actions

  • Adjuvants, Immunologic
  • Analgesics
  • Indicators and Reagents

How it is made

Extracted from the seeds & bark of strychnos aculeata.

By extraction & subsequent crystallization from nux vomica or ignatia seeds.

From Strychnos seeds (Strychnos nux-vomica L. and S. igantti Berg., Loganiaceae).

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 614-006-00-1

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Brucine, Ref no: 62, Annex ref: II/62

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2939.79Indicative HS code

Alkaloids of vegetal origin, other than cocaine, ecgonine, salts, esters and other derivatives, not elsewhere…

World exports in 2024
$701M
+18.9% vs 2023, imports $830M
2019 to 2024
Top exporters
  1. Switzerland * partner reported25.3%
  2. Germany21.4%
  3. India * partner reported14.9%
Top importers
  1. United States20.9%
  2. Germany14.7%
  3. Italy14.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Brucine?

Brucine is an organic heteroheptacyclic compound and a monoterpenoid indole alkaloid.

What is the CAS number of Brucine?

The CAS registry number of Brucine is 357-57-3.

What is the molecular formula and weight of Brucine?

The molecular formula of Brucine is C23H26N2O4 and its molar mass is 394.47 g/mol.

What is Brucine used for?

Denaturant for ethanol, reagent for separating racemic mixtures. Rodent poison. The most common denaturant (for ethanol) used now ... In cosmetic preparations ... Veterinary medication:.

Is Brucine hazardous?

Brucine carries the GHS signal word "Danger". Main hazards: fatal if swallowed, fatal if inhaled, harmful to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Brucine?

Brucine is usually classified under HS code 293979 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Brucine?

CompoundList lists 22 suppliers of Brucine in India, United States, China, Italy and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Brucine in India?

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What is the price of Brucine?

Suppliers quote Brucine 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 Brucine

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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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