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Screening compounds

Cycleanine

Also known as (-)-Cycleanine, O-Methylnorcycleanine, Dimethylisochondodendrine

CAS 518-94-5Formula C38H42N2O6Molar mass 622.76 g/mol
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Cycleanine chemical structure, C38H42N2O6, CAS 518-94-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
518-94-5
Formula
C38H42N2O6
Molar mass
622.76 g/mol
HS code
293499
Category
Screening compounds

What is Cycleanine?

Plain description, key identifiers and synonyms

Cycleanine is a bisbenzylisoquinoline alkaloid and a member of isoquinolines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene
CAS number
518-94-5 CAS number cross-checked
Molecular formula
C38H42N2O6
UNII
BN8R5T4KQ9
InChIKey
ANOXEUSGZWSCQL-LOYHVIPDSA-N
InChI
InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1
Canonical SMILES
COc1cc2c3c(c1OC)Oc1ccc(cc1)CC1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)CC3N(C)CC2)CCN1C
Isomeric SMILES
CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC

Synonyms

  • (-)-Cycleanine
  • O-Methylnorcycleanine
  • Dimethylisochondodendrine
  • (11R,51R)-16,17,56,57-Tetramethoxy-12,52-dimethyl-11,12,13,14,51,52,53,54-octahydro-2,6-dioxa-1(8,1),5(1,8)-diisoquinolina-3,7(1,4)-dibenzenacyclooctaphane
  • O,O-Dimethylisochondodendrin
  • O,O-Dimethylisochondrodendrine
  • Isocycleanine
  • Cycleanin
  • Cycleanine (R,R)
  • Cycleanine + other alkaloids
  • 7,7'-O,O-Dimethylisochondodendrine
  • Cycleanine (Methylisochondodendrine, 7,7'-O,O-Dimethylisochondodendrine)
  • 16,17,56,57-tetramethoxy-12,52-dimethyl-11,12,13,14,51,52,53,54-octahydro-2,6-dioxa-1(8,1),5(1,8)-diisoquinolina-3,7(1,4)-dibenzenacyclooctaphane

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
622.76 g/molcalc.
Exact mass
622.3043 Dacalc.
LogP (octanol/water)
7.16calc.
Topological polar surface area
61.86 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
46calc.
Rings
10calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.37calc.
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, c1cc2c3c(c1)Oc1ccc(cc1)CC1NCCc4cccc(c41)Oc1ccc(cc1)CC3NCC2

c1cc2c3c(c1)Oc1ccc(cc1)CC1NCCc4cccc(c41)Oc1ccc(cc1)CC3NCC2

10 rings, 36 atoms.

7 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.

Cycleanine suppliers

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

Frequently asked questions

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

What is Cycleanine?

Cycleanine is a bisbenzylisoquinoline alkaloid and a member of isoquinolines.

What is the CAS number of Cycleanine?

The CAS registry number of Cycleanine is 518-94-5.

What is the molecular formula and weight of Cycleanine?

The molecular formula of Cycleanine is C38H42N2O6 and its molar mass is 622.76 g/mol.

What is Cycleanine used for?

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

Is Cycleanine hazardous?

No GHS hazard classification for Cycleanine 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 Cycleanine?

Cycleanine 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 Cycleanine?

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

What is the price of Cycleanine?

Suppliers quote Cycleanine 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 Cycleanine

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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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