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Screening compounds

Nitidine nitrate

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

CAS 54785-52-3Formula C21H18N2O7Molar mass 410.38 g/mol
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Nitidine nitrate chemical structure, C21H18N2O7, CAS 54785-52-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
54785-52-3
Formula
C21H18N2O7
Molar mass
410.38 g/mol
HS code
293499
Category
Screening compounds

What is Nitidine nitrate?

Plain description, key identifiers and synonyms

Nitidine nitrate is a chemical substance with the molecular formula C21H18N2O7 and a molar mass of 410.38 g/mol. Its CAS registry number is 54785-52-3. The IUPAC name is 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium nitrate.

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 nitrate
CAS number
54785-52-3
Molecular formula
C21H18N2O7
InChIKey
BLCRURUYTFNHHX-UHFFFAOYSA-N
InChI
InChI=1S/C21H18NO4.NO3/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;2-1(3)4/h4-10H,11H2,1-3H3;/q+1;-1
SMILES (canonical and isomeric)
C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.[N+](=O)([O-])[O-]

Synonyms

  • (1,3)Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-, nitrate
  • 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, nitrate

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
410.38 g/molcalc.
Exact mass
410.1114 Dacalc.
LogP (octanol/water)
3.48calc.
Topological polar surface area
107 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
30calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.19calc.
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)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 nitrate suppliers

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

Frequently asked questions

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

What is Nitidine nitrate?

Nitidine nitrate is a chemical substance with the molecular formula C21H18N2O7 and a molar mass of 410.38 g/mol. Its CAS registry number is 54785-52-3. The IUPAC name is 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium nitrate.

What is the CAS number of Nitidine nitrate?

The CAS registry number of Nitidine nitrate is 54785-52-3.

What is the molecular formula and weight of Nitidine nitrate?

The molecular formula of Nitidine nitrate is C21H18N2O7 and its molar mass is 410.38 g/mol.

What is Nitidine nitrate used for?

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

Is Nitidine nitrate hazardous?

No GHS hazard classification for Nitidine nitrate 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 nitrate?

Nitidine nitrate 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 nitrate?

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

What is the price of Nitidine nitrate?

Suppliers quote Nitidine nitrate 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 nitrate

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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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