Brucine
Also known as 10,11-Dimethoxystrychnine, Brucinum, 2,3-Dimethoxystrychnine
Key facts
What buyers check first

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 synonymsShow fewer 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.Measured value |
|---|---|
| Odour | Odorlessexp.Measured value |
| Taste | Very bitter tasteexp.Measured value |
| Melting point | 178 °Cexp.Measured value |
| Boiling point | 470 °Cexp.Measured value |
| Density | Greater than 1 at 68 °Fexp.Measured value |
| Solubility | Crystals. Sol in water or alcohol. The solns are neutral or slightly acid. /Hydrochloride/exp.Measured value |
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.Computed value |
|---|---|
| Exact mass | 394.1893 Dacalc.Computed value |
| LogP (octanol/water) | 2.11calc.Computed value |
| Topological polar surface area | 51.24 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 29calc.Computed value |
| Rings | 7calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.61calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 6calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
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 aidBrucine suppliers
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Where suppliers are based
22 suppliers in 5 countries
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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 cosmeticsName: 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.
Alkaloids of vegetal origin, other than cocaine, ecgonine, salts, esters and other derivatives, not elsewhere…
- Switzerland * partner reported25.3%
- Germany21.4%
- India * partner reported14.9%
- United States20.9%
- Germany14.7%
- Italy14.6%
* Partner reported figures, a lower bound.
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?
What is the CAS number of Brucine?
What is the molecular formula and weight of Brucine?
What is Brucine used for?
Is Brucine hazardous?
What is the HS code of Brucine?
Where can I buy Brucine?
Where can I buy Brucine in India?
What is the price of Brucine?
Guides for buyers
Practical guides that help when you source, ship or handle Brucine
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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