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Screening compounds

Imerubrine

Also known as 5,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2,4,7,9,11,13(17),14-octaen-6-one, 5,14,15,16-tetramethoxy-10-azatetracyclo(7.7.1.02,8.013,17)heptadeca-1(16),2,4,7,9,11,13(17),14-octaen-6-one, 6,7,8-trimethoxy-2-azatetracyclo(7.6.1.05,16.010,15)hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-13-ol

CAS 58189-33-6Formula C20H17NO5Molar mass 351.36 g/mol
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Imerubrine chemical structure, C20H17NO5, CAS 58189-33-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
58189-33-6
Formula
C20H17NO5
Molar mass
351.36 g/mol
HS code
293399
Category
Screening compounds

What is Imerubrine?

Plain description, key identifiers and synonyms

Imerubrine has been reported in Pericampylus glaucus and Abuta rufescens.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2,4,7,9,11,13(17),14-octaen-6-one
CAS number
58189-33-6 CAS number cross-checked
Molecular formula
C20H17NO5
InChIKey
UNLMKMRFVJZAEV-UHFFFAOYSA-N
InChI
InChI=1S/C20H17NO5/c1-23-14-6-5-10-12(9-13(14)22)17-15-11(7-8-21-17)18(24-2)20(26-4)19(25-3)16(10)15/h5-9H,1-4H3
SMILES (canonical and isomeric)
COC1=CC=C2C(=CC1=O)C3=NC=CC4=C3C2=C(C(=C4OC)OC)OC

Synonyms

  • 5,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2,4,7,9,11,13(17),14-octaen-6-one
  • 5,14,15,16-tetramethoxy-10-azatetracyclo(7.7.1.02,8.013,17)heptadeca-1(16),2,4,7,9,11,13(17),14-octaen-6-one
  • 6,7,8-trimethoxy-2-azatetracyclo(7.6.1.05,16.010,15)hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-13-ol
  • 10H-Dibenzo(de,h)quinolin-10-one, 4,5,6,11-tetramethoxy-
  • 4,5,6,9-Tetramethoxy-10H-azuleno[1,2,3-ij]isoquinolin-10-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
351.36 g/molcalc.
Exact mass
351.1107 Dacalc.
LogP (octanol/water)
3.28calc.
Topological polar surface area
66.88 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
26calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.2calc.
Formal charge
0calc.
Stereocentres
0calc.
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=c1cccc2c(c1)-c1nccc3cccc-2c13

O=c1cccc2c(c1)-c1nccc3cccc-2c13

4 rings, 18 atoms.

2 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.

Imerubrine suppliers

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Imerubrine 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 Imerubrine is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Imerubrine?

Imerubrine has been reported in Pericampylus glaucus and Abuta rufescens.

What is the CAS number of Imerubrine?

The CAS registry number of Imerubrine is 58189-33-6.

What is the molecular formula and weight of Imerubrine?

The molecular formula of Imerubrine is C20H17NO5 and its molar mass is 351.36 g/mol.

What is Imerubrine used for?

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

Is Imerubrine hazardous?

No GHS hazard classification for Imerubrine 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 Imerubrine?

Imerubrine is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Imerubrine?

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

What is the price of Imerubrine?

Suppliers quote Imerubrine 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 Imerubrine

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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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