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Screening compounds

Macrantoridine

Also known as (-)-Macrantoridine, 2,3-Dimethoxy-6-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzoic acid, 2,3-Dimethoxy-6-{[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}benzoic acid

CAS 65560-20-5Formula C22H25NO7Molar mass 415.44 g/mol
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Macrantoridine chemical structure, C22H25NO7, CAS 65560-20-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65560-20-5
Formula
C22H25NO7
Molar mass
415.44 g/mol
HS code
293499
Category
Screening compounds

What is Macrantoridine?

Plain description, key identifiers and synonyms

Macrantoridine has been reported in Papaver orientale and Papaver pseudo-orientale.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,3-dimethoxy-6-[[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]benzoic acid
CAS number
65560-20-5 CAS number cross-checked
Molecular formula
C22H25NO7
InChIKey
REAJHAFEOXIXJD-AWEZNQCLSA-N
InChI
InChI=1S/C22H25NO7/c1-23-8-7-13-10-16-20(30-11-29-16)21(28-4)17(13)14(23)9-12-5-6-15(26-2)19(27-3)18(12)22(24)25/h5-6,10,14H,7-9,11H2,1-4H3,(H,24,25)/t14-/m0/s1
Canonical SMILES
COc1ccc(CC2c3c(cc4c(c3OC)OCO4)CCN2C)c(C(=O)O)c1OC
Isomeric SMILES
CN1CCC2=CC3=C(C(=C2[C@@H]1CC4=C(C(=C(C=C4)OC)OC)C(=O)O)OC)OCO3

Synonyms

  • (-)-Macrantoridine
  • 2,3-Dimethoxy-6-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzoic acid
  • 2,3-Dimethoxy-6-{[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl}benzoic acid
  • Benzoic acid, 2,3-dimethoxy-6-((5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)methyl)-, (S)-

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
415.44 g/molcalc.
Exact mass
415.1631 Dacalc.
LogP (octanol/water)
2.91calc.
Topological polar surface area
86.69 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
6calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc(CC2NCCc3cc4c(cc32)OCO4)cc1

c1ccc(CC2NCCc3cc4c(cc32)OCO4)cc1

4 rings, 20 atoms.

26 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.

Macrantoridine suppliers

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

Frequently asked questions

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

What is Macrantoridine?

Macrantoridine has been reported in Papaver orientale and Papaver pseudo-orientale.

What is the CAS number of Macrantoridine?

The CAS registry number of Macrantoridine is 65560-20-5.

What is the molecular formula and weight of Macrantoridine?

The molecular formula of Macrantoridine is C22H25NO7 and its molar mass is 415.44 g/mol.

What is Macrantoridine used for?

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

Is Macrantoridine hazardous?

No GHS hazard classification for Macrantoridine 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 Macrantoridine?

Macrantoridine 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 Macrantoridine?

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What is the price of Macrantoridine?

Suppliers quote Macrantoridine 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 Macrantoridine

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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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