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Screening compounds

Strychnospermine

Also known as (19R)-1-Acetyl-17,19-epoxy-11-methoxycuran, 1-[(4R,12S,13R,16R,17S,18R,20S)-8-methoxy-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.04,12.04,20.05,10.013,18]henicosa-5(10),6,8-trien-11-yl]ethanone

CAS 509-45-5Formula C22H28N2O3Molar mass 368.48 g/mol
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Strychnospermine chemical structure, C22H28N2O3, CAS 509-45-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
509-45-5
Formula
C22H28N2O3
Molar mass
368.48 g/mol
HS code
293499
Category
Screening compounds

What is Strychnospermine?

Plain description, key identifiers and synonyms

(19R)-1-Acetyl-17,19-epoxy-11-methoxycuran has been reported in Strychnos psilosperma.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[(4R,12S,13R,16R,17S,18R,20S)-8-methoxy-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.04,12.04,20.05,10.013,18]henicosa-5(10),6,8-trien-11-yl]ethanone
CAS number
509-45-5
Molecular formula
C22H28N2O3
InChIKey
ZOBRSZBLMUQBPR-HJXHSQNHSA-N
InChI
InChI=1S/C22H28N2O3/c1-12-16-10-23-7-6-22-18-5-4-14(26-3)8-19(18)24(13(2)25)21(22)17(11-27-12)15(16)9-20(22)23/h4-5,8,12,15-17,20-21H,6-7,9-11H2,1-3H3/t12-,15+,16+,17-,20+,21+,22-/m1/s1
Canonical SMILES
COc1ccc2c(c1)N(C(C)=O)C1C3COC(C)C4CN5CCC21C5CC43
Isomeric SMILES
C[C@@H]1[C@@H]2CN3CC[C@@]45[C@@H]3C[C@@H]2[C@H]([C@@H]4N(C6=C5C=CC(=C6)OC)C(=O)C)CO1

Synonyms

  • (19R)-1-Acetyl-17,19-epoxy-11-methoxycuran
  • 1-[(4R,12S,13R,16R,17S,18R,20S)-8-methoxy-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.04,12.04,20.05,10.013,18]henicosa-5(10),6,8-trien-11-yl]ethanone

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
368.48 g/molcalc.
Exact mass
368.21 Dacalc.
LogP (octanol/water)
2.43calc.
Topological polar surface area
42.01 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
27calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
7calc.
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, c1ccc2c(c1)NC1C3COCC4CN5CCC21C5CC43

c1ccc2c(c1)NC1C3COCC4CN5CCC21C5CC43

6 rings, 21 atoms.

1 other chemical 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.

Strychnospermine suppliers

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Strychnospermine price

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

Guides for buyers

Practical guides that help when you source, ship or handle Strychnospermine

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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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