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Screening compounds

Narcotoline

Also known as (-)-Narcotoline, (3S)-3-[(5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one, (3S)-3-((5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one

CAS 521-40-4Formula C21H21NO7Molar mass 399.40 g/molEC 208-313-6
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Narcotoline chemical structure, C21H21NO7, CAS 521-40-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
521-40-4
Formula
C21H21NO7
Molar mass
399.40 g/mol
EC number
208-313-6
HS code
293499
Category
Screening compounds

What is Narcotoline?

Plain description, key identifiers and synonyms

Narcotoline is a member of isoquinolines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-3-[(5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
CAS number
521-40-4 CAS number cross-checked
EC number
208-313-6
Molecular formula
C21H21NO7
UNII
M5V1K1QE3F
InChIKey
LMGZCSKYOKDBES-AEFFLSMTSA-N
InChI
InChI=1S/C21H21NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1
Canonical SMILES
COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2O)OCO3)CCN1C
Isomeric SMILES
CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)O)OCO3

Synonyms

  • (-)-Narcotoline
  • (3S)-3-[(5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one
  • (3S)-3-((5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one
  • (3S)-3-((5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-(1,3)dioxolo(4,5-g)isoquinolin-5-yl)-6,7-dimethoxy-3H-isobenzofuran-1-one
  • (3S)-3-[(5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-isobenzofuran-1-one
  • desmethylnarcotine
  • (S)-3-((R)-4-Hydroxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxyisobenzofuran-1(3H)-one
  • (S-(R*,R*))-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)phthalide
  • (3S)-3-[(5R)-4-Hydroxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-2-benzofuran-1(3H)-one
  • (3S)-6,7-Dimethoxy-3-((5R)-5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-1(3H)-isobenzofuranone
  • 1(3H)-isobenzofuranone, 6,7-dimethoxy-3-((5R)-5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (3S)-
  • 3-(4-hydroxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxy-2-benzofuran-1(3H)-one

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
399.40 g/molcalc.
Exact mass
399.1318 Dacalc.
LogP (octanol/water)
2.58calc.
Topological polar surface area
86.69 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
3calc.
Heavy atoms
29calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C1OC(C2NCCc3cc4c(cc32)OCO4)c2ccccc21

O=C1OC(C2NCCc3cc4c(cc32)OCO4)c2ccccc21

5 rings, 23 atoms.

40 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.

Narcotoline suppliers

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

Frequently asked questions

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

What is Narcotoline?

Narcotoline is a member of isoquinolines.

What is the CAS number of Narcotoline?

The CAS registry number of Narcotoline is 521-40-4.

What is the molecular formula and weight of Narcotoline?

The molecular formula of Narcotoline is C21H21NO7 and its molar mass is 399.40 g/mol.

What is Narcotoline used for?

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

Is Narcotoline hazardous?

No GHS hazard classification for Narcotoline 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 Narcotoline?

Narcotoline 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 Narcotoline?

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What is the price of Narcotoline?

Suppliers quote Narcotoline 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 Narcotoline

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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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