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Screening compounds

Emetamine

Also known as Tetradehydroemetine, 6',7',10,11-tetramethoxy-1',2',3',4'-tetradehydroemetan, 1',2',3',4'-Tetradehydro-6',7',10,11-tetramethoxyemetan

CAS 483-19-2Formula C29H36N2O4Molar mass 476.62 g/mol
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Emetamine chemical structure, C29H36N2O4, CAS 483-19-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
483-19-2
Formula
C29H36N2O4
Molar mass
476.62 g/mol
HS code
293349
Category
Screening compounds

What is Emetamine?

Plain description, key identifiers and synonyms

Emetamine is a pyridoisoquinoline consisting of emetine having a fully aromatised isoquinoline. It is functionally related to an emetine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3R,11bS)-2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CAS number
483-19-2 CAS number cross-checked
Molecular formula
C29H36N2O4
UNII
CWM13I408S
InChIKey
MBYXEBXZARTUSS-HMHJJOSWSA-N
InChI
InChI=1S/C29H36N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h7,9,13-16,18,21,25H,6,8,10-12,17H2,1-5H3/t18-,21-,25-/m0/s1
Canonical SMILES
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1Cc1nccc2cc(OC)c(OC)cc12
Isomeric SMILES
CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC4=NC=CC5=CC(=C(C=C54)OC)OC)OC)OC

Synonyms

  • Tetradehydroemetine
  • 6',7',10,11-tetramethoxy-1',2',3',4'-tetradehydroemetan
  • 1',2',3',4'-Tetradehydro-6',7',10,11-tetramethoxyemetan
  • Emetan, 1',2',3',4'-tetradehydro-6',7',10,11-tetramethoxy-
  • 2H-Benzo(a)quinolizine, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, (2R,3R,11bs)-
  • (2R,3R,11bS)-2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine

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
476.62 g/molcalc.
Exact mass
476.2675 Dacalc.
LogP (octanol/water)
5.46calc.
Topological polar surface area
53.05 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
35calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (1 violation)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, c1ccc2c(c1)CCN1CCC(Cc3nccc4ccccc34)CC21

c1ccc2c(c1)CCN1CCC(Cc3nccc4ccccc34)CC21

5 rings, 25 atoms.

No other chemical in our database has 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.

Emetamine suppliers

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

Frequently asked questions

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

What is Emetamine?

Emetamine is a pyridoisoquinoline consisting of emetine having a fully aromatised isoquinoline. It is functionally related to an emetine.

What is the CAS number of Emetamine?

The CAS registry number of Emetamine is 483-19-2.

What is the molecular formula and weight of Emetamine?

The molecular formula of Emetamine is C29H36N2O4 and its molar mass is 476.62 g/mol.

What is Emetamine used for?

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

Is Emetamine hazardous?

No GHS hazard classification for Emetamine 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 Emetamine?

Emetamine 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 Emetamine?

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

What is the price of Emetamine?

Suppliers quote Emetamine 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 Emetamine

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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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