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Screening compounds

Oxyacanthine

Also known as Vinetine, N-Methylsepeerine, 6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol

CAS 548-40-3Formula C37H40N2O6Molar mass 608.74 g/molEC 208-946-8
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Oxyacanthine chemical structure, C37H40N2O6, CAS 548-40-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
548-40-3
Formula
C37H40N2O6
Molar mass
608.74 g/mol
EC number
208-946-8
HS code
293499
Category
Screening compounds

What is Oxyacanthine?

Plain description, key identifiers and synonyms

Oxyacanthine is a macrocycle that is oxyacanthan that is substituted by methoxy groups at positions 6, 6', and 7, methyl groups at positions 2 and 2', and a hydroxy group at the 12' position. It is a bisbenzylisoquinoline alkaloid, a member of isoquinolines, a member of phenols, a tertiary amino compound and a macrocycle. It derives from a hydride of an oxyacanthan.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,14S)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-6-ol
CAS number
548-40-3 CAS number cross-checked
EC number
208-946-8
Molecular formula
C37H40N2O6
InChIKey
HGNHIFJNOKGSKI-WDYNHAJCSA-N
InChI
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
Canonical SMILES
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(cc1)Oc1cc(ccc1O)CC3N(C)CC2)N(C)CC4
Isomeric SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)OC

Synonyms

  • Vinetine
  • N-Methylsepeerine
  • 6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol
  • 6,6',7-Trimethoxy-2,2'-dimethyl-oxyacanthan-12'-ol
  • N-Methylocoteamine
  • Oxyacanthan-12'-ol, 6,6',7-trimethoxy-2,2'-dimethyl-
  • Oxyacanthine (Vinetine)

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
608.74 g/molcalc.
Exact mass
608.2886 Dacalc.
LogP (octanol/water)
6.86calc.
Topological polar surface area
72.86 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
3calc.
Heavy atoms
45calc.
Rings
8calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Fails (2 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, c1cc2cc(c1)Oc1ccc(cc1)CC1NCCc3cccc(c31)Oc1ccc3c(c1)C(C2)NCC3

c1cc2cc(c1)Oc1ccc(cc1)CC1NCCc3cccc(c31)Oc1ccc3c(c1)C(C2)NCC3

8 rings, 36 atoms.

28 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.

Oxyacanthine suppliers

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

Frequently asked questions

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

What is Oxyacanthine?

Oxyacanthine is a macrocycle that is oxyacanthan that is substituted by methoxy groups at positions 6, 6', and 7, methyl groups at positions 2 and 2', and a hydroxy group at the 12' position.

What is the CAS number of Oxyacanthine?

The CAS registry number of Oxyacanthine is 548-40-3.

What is the molecular formula and weight of Oxyacanthine?

The molecular formula of Oxyacanthine is C37H40N2O6 and its molar mass is 608.74 g/mol.

What is Oxyacanthine used for?

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

Is Oxyacanthine hazardous?

No GHS hazard classification for Oxyacanthine 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 Oxyacanthine?

Oxyacanthine 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 Oxyacanthine?

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

What is the price of Oxyacanthine?

Suppliers quote Oxyacanthine 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 Oxyacanthine

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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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