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Screening compounds

Amustaline

Also known as (N,N-bis(2-chloroethyl))-2-aminoethyl-3-((acridin-9-yl)amino)propionate, beta-Alanine, N-9-acridinyl-, 2-(bis(2-chloroethyl)amino)ethyl ester, beta-Alanine, N-9-acridinyl-, 2-[bis(2-chloroethyl)amino]ethyl ester

CAS 220180-88-1Formula C22H25Cl2N3O2Molar mass 434.37 g/mol
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Amustaline chemical structure, C22H25Cl2N3O2, CAS 220180-88-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
220180-88-1
Formula
C22H25Cl2N3O2
Molar mass
434.37 g/mol
HS code
293399
Category
Screening compounds

What is Amustaline?

Plain description, key identifiers and synonyms

Amustaline is a quinacrine mustard compound with potential antineoplastic activity. Amustaline binds to, intercalates and crosslinks DNA and RNA. This agent is mainly used for ex vivo purposes, specifically for the inactivation of pathogens such as viruses, protozoa and bacteria in red blood cells (RBCs).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[bis(2-chloroethyl)amino]ethyl 3-(acridin-9-ylamino)propanoate
CAS number
220180-88-1 CAS number cross-checkedOther or deprecated CAS: 878189-87-8
Molecular formula
C22H25Cl2N3O2
UNII
25571657UW
InChIKey
BDLWRIAFNYVGTC-UHFFFAOYSA-N
InChI
InChI=1S/C22H25Cl2N3O2/c23-10-13-27(14-11-24)15-16-29-21(28)9-12-25-22-17-5-1-3-7-19(17)26-20-8-4-2-6-18(20)22/h1-8H,9-16H2,(H,25,26)
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCC(=O)OCCN(CCCl)CCCl

Synonyms

  • (N,N-bis(2-chloroethyl))-2-aminoethyl-3-((acridin-9-yl)amino)propionate
  • beta-Alanine, N-9-acridinyl-, 2-(bis(2-chloroethyl)amino)ethyl ester
  • beta-Alanine, N-9-acridinyl-, 2-[bis(2-chloroethyl)amino]ethyl ester
  • S303 compound
  • S-303 compound
  • PIC 1
  • 2-[bis(2-chloroethyl)amino]ethyl 3-(acridin-9-ylamino)propanoate
  • 2-(bis(2-chloroethyl)amino)ethyl 3-(acridin-9-ylamino)propanoate
  • Alanine, N-9-acridinyl-, 2-[bis(2-chloroethyl)amino]ethyl ester
  • 2-[Bis(2-chloroethyl)amino]ethyl N-(acridin-9-yl)-beta-alaninate

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
434.37 g/molcalc.
Exact mass
433.1324 Dacalc.
LogP (octanol/water)
4.51calc.
Topological polar surface area
54.46 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
11calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.36calc.
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, c1ccc2nc3ccccc3cc2c1

c1ccc2nc3ccccc3cc2c1

3 rings, 14 atoms, the Acridine ring system.

1,068 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.

Amustaline suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Amustaline price

Indicative price range per kg from live supplier offers

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

Frequently asked questions

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

What is Amustaline?

Amustaline is a quinacrine mustard compound with potential antineoplastic activity. Amustaline binds to, intercalates and crosslinks DNA and RNA. This agent is mainly used for ex vivo purposes, specifically for the inactivation of pathogens such as viruses, protozoa and bacteria in red blood cells (RBCs).

What is the CAS number of Amustaline?

The CAS registry number of Amustaline is 220180-88-1. Other or deprecated CAS numbers: 878189-87-8.

What is the molecular formula and weight of Amustaline?

The molecular formula of Amustaline is C22H25Cl2N3O2 and its molar mass is 434.37 g/mol.

What is Amustaline used for?

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

Is Amustaline hazardous?

No GHS hazard classification for Amustaline 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 Amustaline?

Amustaline 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 Amustaline?

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

What is the price of Amustaline?

Suppliers quote Amustaline 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 Amustaline

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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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