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Alkaloids

Pseudobrucine

Also known as 16-Hydroxy-2,3-dimethoxystrychnidin-10-one, Strychnidin-10-one, 16-hydroxy-2,3-dimethoxy-, 16-Hydroxybrucine

CAS 560-30-5Formula C23H26N2O5Molar mass 410.47 g/mol
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Pseudobrucine chemical structure, C23H26N2O5, CAS 560-30-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
560-30-5
Formula
C23H26N2O5
Molar mass
410.47 g/mol
HS code
293979
Category
Alkaloids

What is Pseudobrucine?

Plain description, key identifiers and synonyms

Pseudobrucine is a monoterpenoid indole alkaloid that is brucine in which the hydrogen at position 16 has been replaced by a hydroxy group. It has a role as a plant metabolite and a human xenobiotic metabolite. It is an aromatic ether, an organic heteroheptacyclic compound, a monoterpenoid indole alkaloid, a hemiaminal and a delta-lactam. It is functionally related to a brucine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4aR,5aR,8aS,13aS,15aS,15bR)-5a-hydroxy-10,11-dimethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
CAS number
560-30-5
Molecular formula
C23H26N2O5
InChIKey
JNNROFOMHXIAMQ-UDSSAEOASA-N
InChI
InChI=1S/C23H26N2O5/c1-28-16-7-14-15(8-17(16)29-2)25-19(26)9-18-20-13-10-23(27)22(14,21(20)25)4-5-24(23)11-12(13)3-6-30-18/h3,7-8,13,18,20-21,27H,4-6,9-11H2,1-2H3/t13-,18-,20-,21-,22-,23+/m0/s1
Canonical SMILES
COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43O
Isomeric SMILES
COC1=C(C=C2C(=C1)[C@]34CCN5[C@]3(C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)O)OC

Synonyms

  • 16-Hydroxy-2,3-dimethoxystrychnidin-10-one
  • Strychnidin-10-one, 16-hydroxy-2,3-dimethoxy-
  • 16-Hydroxybrucine

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
410.47 g/molcalc.
Exact mass
410.1842 Dacalc.
LogP (octanol/water)
1.43calc.
Topological polar surface area
71.47 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
30calc.
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

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.

Pseudobrucine suppliers

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Pseudobrucine 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

Roles

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • human xenobiotic metabolite
  • mammalian metabolite
  • metabolite
  • plant metabolite
  • xenobiotic metabolite

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 Pseudobrucine 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 Pseudobrucine is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Pseudobrucine?

Pseudobrucine is a monoterpenoid indole alkaloid that is brucine in which the hydrogen at position 16 has been replaced by a hydroxy group. It has a role as a plant metabolite and a human xenobiotic metabolite.

What is the CAS number of Pseudobrucine?

The CAS registry number of Pseudobrucine is 560-30-5.

What is the molecular formula and weight of Pseudobrucine?

The molecular formula of Pseudobrucine is C23H26N2O5 and its molar mass is 410.47 g/mol.

What is Pseudobrucine used for?

Known uses and roles of Pseudobrucine include animal metabolite, eukaryotic metabolite, human metabolite, human xenobiotic metabolite, mammalian metabolite and 3 more.

Is Pseudobrucine hazardous?

No GHS hazard classification for Pseudobrucine 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 Pseudobrucine?

Pseudobrucine 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 Pseudobrucine?

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

What is the price of Pseudobrucine?

Suppliers quote Pseudobrucine 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 Pseudobrucine

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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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