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Heterocyclic building blocks

Fetidine

CAS 7072-86-8Formula C40H46N2O8Molar mass 682.81 g/mol
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Fetidine chemical structure, C40H46N2O8, CAS 7072-86-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7072-86-8
Formula
C40H46N2O8
Molar mass
682.81 g/mol
HS code
293349
Category
Heterocyclic building blocks

What is Fetidine?

Plain description, key identifiers and synonyms

Fetidine is a bisbenzylisoquinoline alkaloid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
CAS number
7072-86-8 CAS number cross-checked
Molecular formula
C40H46N2O8
InChIKey
IBHSRCBKJMEBQB-VMPREFPWSA-N
InChI
InChI=1S/C40H46N2O8/c1-41-13-11-22-17-31(45-4)32(46-5)20-26(22)28(41)15-24-9-10-30(44-3)40(49-8)39(24)50-34-19-25-16-29-36-23(12-14-42(29)2)18-35(48-7)38(43)37(36)27(25)21-33(34)47-6/h9-10,17-21,28-29,43H,11-16H2,1-8H3/t28-,29-/m0/s1
SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)OC)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC

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
682.81 g/molcalc.
Exact mass
682.3254 Dacalc.
LogP (octanol/water)
6.76calc.
Topological polar surface area
91.32 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
10calc.
Heavy atoms
50calc.
Rings
7calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.4calc.
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, c1ccc(Oc2ccc3c(c2)CC2NCCc4cccc-3c42)c(CC2NCCc3ccccc32)c1

c1ccc(Oc2ccc3c(c2)CC2NCCc4cccc-3c42)c(CC2NCCc3ccccc32)c1

7 rings, 35 atoms.

14 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.

Fetidine suppliers

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Fetidine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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

Frequently asked questions

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

What is Fetidine?

Fetidine is a bisbenzylisoquinoline alkaloid.

What is the CAS number of Fetidine?

The CAS registry number of Fetidine is 7072-86-8.

What is the molecular formula and weight of Fetidine?

The molecular formula of Fetidine is C40H46N2O8 and its molar mass is 682.81 g/mol.

What is Fetidine used for?

Known uses and roles of Fetidine include building blocks in research and laboratory.

Is Fetidine hazardous?

No GHS hazard classification for Fetidine 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 Fetidine?

Fetidine 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 Fetidine?

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

What is the price of Fetidine?

Suppliers quote Fetidine 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 Fetidine

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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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