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Screening compounds

Macrantaline

Also known as (+)-Macrantaline, (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}phenyl)methanol, {2,3-Dimethoxy-6-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]phenyl}methanol

CAS 62818-76-2Formula C22H27NO6Molar mass 401.46 g/mol
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Macrantaline chemical structure, C22H27NO6, CAS 62818-76-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
62818-76-2
Formula
C22H27NO6
Molar mass
401.46 g/mol
HS code
293499
Category
Screening compounds

What is Macrantaline?

Plain description, key identifiers and synonyms

Macrantaline has been reported in Papaver orientale, Papaver pseudo-orientale, and Papaver lateritium.

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]phenyl]methanol
CAS number
62818-76-2 CAS number cross-checked
Molecular formula
C22H27NO6
InChIKey
UYVPKNMJIKNYPY-INIZCTEOSA-N
InChI
InChI=1S/C22H27NO6/c1-23-8-7-14-10-18-21(29-12-28-18)22(27-4)19(14)16(23)9-13-5-6-17(25-2)20(26-3)15(13)11-24/h5-6,10,16,24H,7-9,11-12H2,1-4H3/t16-/m0/s1
Canonical SMILES
COc1ccc(CC2c3c(cc4c(c3OC)OCO4)CCN2C)c(CO)c1OC
Isomeric SMILES
CN1CCC2=CC3=C(C(=C2[C@@H]1CC4=C(C(=C(C=C4)OC)OC)CO)OC)OCO3

Synonyms

  • (+)-Macrantaline
  • (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}phenyl)methanol
  • {2,3-Dimethoxy-6-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]phenyl}methanol

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
401.46 g/molcalc.
Exact mass
401.1838 Dacalc.
LogP (octanol/water)
2.71calc.
Topological polar surface area
69.62 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
6calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.46calc.
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.

Macrantaline suppliers

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

Frequently asked questions

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

What is Macrantaline?

Macrantaline has been reported in Papaver orientale, Papaver pseudo-orientale, and Papaver lateritium.

What is the CAS number of Macrantaline?

The CAS registry number of Macrantaline is 62818-76-2.

What is the molecular formula and weight of Macrantaline?

The molecular formula of Macrantaline is C22H27NO6 and its molar mass is 401.46 g/mol.

What is Macrantaline used for?

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

Is Macrantaline hazardous?

No GHS hazard classification for Macrantaline 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 Macrantaline?

Macrantaline 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 Macrantaline?

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

What is the price of Macrantaline?

Suppliers quote Macrantaline 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 Macrantaline

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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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