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Screening compounds

Nitidine

Also known as nitidine cation, (1,3)Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-, 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium

CAS 6872-57-7Formula C21H18NO4+Molar mass 348.38 g/mol
1 supplier listed
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Nitidine chemical structure, C21H18NO4+, CAS 6872-57-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6872-57-7
Formula
C21H18NO4+
Molar mass
348.38 g/mol
HS code
293499
Category
Screening compounds

What is Nitidine?

Plain description, key identifiers and synonyms

Nitidine is a member of phenanthridines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
CAS number
6872-57-7 CAS number cross-checked
Molecular formula
C21H18NO4+
UNII
933301178Z
MDL number
MFCD00238652
InChIKey
KKMPSGJPCCJYRV-UHFFFAOYSA-N
InChI
InChI=1S/C21H18NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-10H,11H2,1-3H3/q+1
SMILES (canonical and isomeric)
C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC

Synonyms

  • nitidine cation
  • (1,3)Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-
  • 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
  • [1,3]Benzodioxolo[5,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-
  • 2,3-dimethoxy-12-methyl-(1,3)benzodioxolo(5,6-c)phenanthridin-12-ium
  • Nitidin
  • [1,3]Dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium,2,3-dimethoxy-12-methyl-
  • oxynitdine
  • Nitidine ion
  • [1,3]Benzodioxolo[5,6-c]phenanthridinium,2,3-dimethoxy-12-methyl-
  • 2,3-Dimethoxy-12-methyl-9H-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
  • 2,3-Dimethoxy-12-methyl-9H-phenanthridino[4',3'-2,1]benzo[4,5-d]1,3-dioxolane

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
348.38 g/molcalc.
Exact mass
348.123 Dacalc.
LogP (octanol/water)
3.72calc.
Topological polar surface area
40.8 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
26calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.19calc.
Formal charge
1calc.
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, c1ccc2c(c1)cnc1c3cc4c(cc3ccc21)OCO4

c1ccc2c(c1)cnc1c3cc4c(cc3ccc21)OCO4

5 rings, 21 atoms.

20 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.

Nitidine suppliers

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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 1 country

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

Frequently asked questions

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

What is Nitidine?

Nitidine is a member of phenanthridines.

What is the CAS number of Nitidine?

The CAS registry number of Nitidine is 6872-57-7.

What is the molecular formula and weight of Nitidine?

The molecular formula of Nitidine is C21H18NO4+ and its molar mass is 348.38 g/mol.

What is Nitidine used for?

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

Is Nitidine hazardous?

No GHS hazard classification for Nitidine 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 Nitidine?

Nitidine 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 Nitidine?

CompoundList lists 1 supplier of Nitidine in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Nitidine?

Suppliers quote Nitidine 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 Nitidine

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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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