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Screening compounds

Daurinoline

CAS 2831-75-6Formula C37H42N2O6Molar mass 610.75 g/mol
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Daurinoline chemical structure, C37H42N2O6, CAS 2831-75-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2831-75-6
Formula
C37H42N2O6
Molar mass
610.75 g/mol
HS code
293349
Category
Screening compounds

What is Daurinoline?

Plain description, key identifiers and synonyms

(1R)-1-{[4-(5-{[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}-2-hydroxyphenoxy)phenyl]methyl}-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol has been reported in Menispermum canadense and Menispermum dauricum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CAS number
2831-75-6
Molecular formula
C37H42N2O6
InChIKey
APIHNXDZCYDPTF-FIRIVFDPSA-N
InChI
InChI=1S/C37H42N2O6/c1-38-14-12-25-19-33(41)34(42-3)21-28(25)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-29-22-37(44-5)36(43-4)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1
Canonical SMILES
COc1cc2c(cc1O)CCN(C)C2Cc1ccc(Oc2cc(CC3c4cc(OC)c(OC)cc4CCN3C)ccc2O)cc1
Isomeric SMILES
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)O

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
610.75 g/molcalc.
Exact mass
610.3043 Dacalc.
LogP (octanol/water)
6.46calc.
Topological polar surface area
83.86 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
9calc.
Heavy atoms
45calc.
Rings
6calc.
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, c1cc(CC2NCCc3ccccc32)cc(Oc2ccc(CC3NCCc4ccccc43)cc2)c1

c1cc(CC2NCCc3ccccc32)cc(Oc2ccc(CC3NCCc4ccccc43)cc2)c1

6 rings, 35 atoms.

29 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.

Daurinoline suppliers

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Daurinoline 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 Daurinoline is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Daurinoline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Daurinoline?

(1R)-1-{[4-(5-{[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}-2-hydroxyphenoxy)phenyl]methyl}-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol has been reported in Menispermum canadense and Menispermum dauricum.

What is the CAS number of Daurinoline?

The CAS registry number of Daurinoline is 2831-75-6.

What is the molecular formula and weight of Daurinoline?

The molecular formula of Daurinoline is C37H42N2O6 and its molar mass is 610.75 g/mol.

What is Daurinoline used for?

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

Is Daurinoline hazardous?

No GHS hazard classification for Daurinoline 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 Daurinoline?

Daurinoline is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Daurinoline?

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

What is the price of Daurinoline?

Suppliers quote Daurinoline 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 Daurinoline

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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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