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Screening compounds

Dehydrocapaurimine

Also known as Dibenzo(a,g)quinolizinium, 5,6-dihydro-1,10-dihydroxy-2,3,9-trimethoxy-, chloride

CAS 57499-40-8Formula C20H20ClNO5Molar mass 389.84 g/mol
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Dehydrocapaurimine chemical structure, C20H20ClNO5, CAS 57499-40-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
57499-40-8
Formula
C20H20ClNO5
Molar mass
389.84 g/mol
HS code
293399
Category
Screening compounds

What is Dehydrocapaurimine?

Plain description, key identifiers and synonyms

Dehydrocapaurimine is a chemical substance with the molecular formula C20H20ClNO5 and a molar mass of 389.84 g/mol. Its CAS registry number is 57499-40-8. The IUPAC name is 2,3,9-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-1,10-diol chloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,3,9-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-1,10-diol chloride
CAS number
57499-40-8 CAS number cross-checked
Molecular formula
C20H20ClNO5
InChIKey
BBYJVCPFCHYJLF-UHFFFAOYSA-N
InChI
InChI=1S/C20H19NO5.ClH/c1-24-16-9-12-6-7-21-10-13-11(4-5-15(22)19(13)25-2)8-14(21)17(12)18(23)20(16)26-3;/h4-5,8-10,22H,6-7H2,1-3H3;1H
SMILES (canonical and isomeric)
COC1=C(C(=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)O)OC.[Cl-]

Synonyms

  • Dibenzo(a,g)quinolizinium, 5,6-dihydro-1,10-dihydroxy-2,3,9-trimethoxy-, chloride

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
389.84 g/molcalc.
Exact mass
389.103 Dacalc.
LogP (octanol/water)
-0.21calc.
Topological polar surface area
72.03 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
27calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
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, c1ccc2c(c1)CC[n+]1cc3ccccc3cc1-2

c1ccc2c(c1)CC[n+]1cc3ccccc3cc1-2

4 rings, 18 atoms, the Protoberberine ring system.

57 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.

Dehydrocapaurimine suppliers

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

Frequently asked questions

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

What is Dehydrocapaurimine?

Dehydrocapaurimine is a chemical substance with the molecular formula C20H20ClNO5 and a molar mass of 389.84 g/mol. Its CAS registry number is 57499-40-8. The IUPAC name is 2,3,9-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-1,10-diol chloride.

What is the CAS number of Dehydrocapaurimine?

The CAS registry number of Dehydrocapaurimine is 57499-40-8.

What is the molecular formula and weight of Dehydrocapaurimine?

The molecular formula of Dehydrocapaurimine is C20H20ClNO5 and its molar mass is 389.84 g/mol.

What is Dehydrocapaurimine used for?

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

Is Dehydrocapaurimine hazardous?

No GHS hazard classification for Dehydrocapaurimine 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 Dehydrocapaurimine?

Dehydrocapaurimine 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 Dehydrocapaurimine?

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

What is the price of Dehydrocapaurimine?

Suppliers quote Dehydrocapaurimine 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 Dehydrocapaurimine

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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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