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Screening compounds

Vineridine

Also known as Isocaboxine A, Vineridin, 7-Epivinerine

CAS 3489-06-3Formula C22H26N2O5Molar mass 398.46 g/mol
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Vineridine chemical structure, C22H26N2O5, CAS 3489-06-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3489-06-3
Formula
C22H26N2O5
Molar mass
398.46 g/mol
HS code
293499
Category
Screening compounds

What is Vineridine?

Plain description, key identifiers and synonyms

vineridine has been reported in Vinca minor.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
CAS number
3489-06-3 CAS number cross-checked
Molecular formula
C22H26N2O5
UNII
RAK4CV25QT
InChIKey
SRKHGHLMEDVZRX-PNGOUSOWSA-N
InChI
InChI=1S/C22H26N2O5/c1-12-15-10-24-7-6-22(17-5-4-13(27-2)8-18(17)23-21(22)26)19(24)9-14(15)16(11-29-12)20(25)28-3/h4-5,8,11-12,14-15,19H,6-7,9-10H2,1-3H3,(H,23,26)/t12-,14-,15-,19+,22-/m0/s1
Canonical SMILES
COC(=O)C1=COC(C)C2CN3CCC4(C(=O)Nc5cc(OC)ccc54)C3CC12
Isomeric SMILES
C[C@H]1[C@@H]2CN3CC[C@@]4([C@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=C(C=C(C=C5)OC)NC4=O

Synonyms

  • Isocaboxine A
  • Vineridin
  • 7-Epivinerine
  • methyl (1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
  • Formosanan-16-carboxylic acid, 11-methoxy-19-methyl-2-oxo-, methyl ester, (3-beta,7-alpha,19-alpha,20-alpha)-
  • methyl (1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxospiro(1,4a,5,5a,7,8,10,10a-octahydropyrano(3,4-f)indolizine-6,3'-1H-indole)-4-carboxylate
  • (3beta,7S,20alpha)-11-Methoxy-19alpha-methyl-2-oxoformosanan-16-carboxylic acid methyl ester
  • (1'S,3S,4a'S,5a'R,10a'S)-methyl 6-methoxy-1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
  • Formosanan-16-carboxylic acid, 11-methoxy-19-methyl-2-oxo-, methyl ester, (3beta,7alpha,19alpha,20.alpha.)-
  • Methyl (1'S,3S,4a'S,5a'R,10a'S)-6-methoxy-1'-methyl-2-oxo-4a',5',5a',7',8',10a'-hexahydro-1'H,10'H-spiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
  • Methyl 2-hydroxy-11-methoxy-19alpha-methyl-3beta,7alpha,20alpha-1,2-didehydroformosanan-16-carboxylate

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
398.46 g/molcalc.
Exact mass
398.1842 Dacalc.
LogP (octanol/water)
2.07calc.
Topological polar surface area
77.1 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
29calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
5calc.
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=C1Nc2ccccc2C12CCN1CC3COC=CC3CC12

O=C1Nc2ccccc2C12CCN1CC3COC=CC3CC12

5 rings, 22 atoms.

18 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.

Vineridine suppliers

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

Frequently asked questions

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

What is Vineridine?

vineridine has been reported in Vinca minor.

What is the CAS number of Vineridine?

The CAS registry number of Vineridine is 3489-06-3.

What is the molecular formula and weight of Vineridine?

The molecular formula of Vineridine is C22H26N2O5 and its molar mass is 398.46 g/mol.

What is Vineridine used for?

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

Is Vineridine hazardous?

No GHS hazard classification for Vineridine 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 Vineridine?

Vineridine 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 Vineridine?

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

What is the price of Vineridine?

Suppliers quote Vineridine 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 Vineridine

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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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