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Screening compounds

Spiromustine

Also known as Spirohydantoin mustard, Spiromustinum, Espiromustina

CAS 56605-16-4Formula C14H23Cl2N3O2Molar mass 336.26 g/mol
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Spiromustine chemical structure, C14H23Cl2N3O2, CAS 56605-16-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
56605-16-4
Formula
C14H23Cl2N3O2
Molar mass
336.26 g/mol
HS code
293329
Category
Screening compounds

What is Spiromustine?

Plain description, key identifiers and synonyms

Spiromustine is a bifunctional nitrogen alkylating agent with antineoplastic activity and lipophilic properties. Containing a lipophilic hydantoin group that serves as a carrier to cross the blood brain barrier, spiromustine forms covalent linkages with nucleophilic centers in DNA, causing depurination, base-pair miscoding, strand scission, and DNA-DNA cross-linking, which may result in cytotoxicity. (NCI04)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CAS number
56605-16-4 CAS number cross-checked
Molecular formula
C14H23Cl2N3O2
UNII
J3HB83X76Z
MDL number
MFCD00866539
InChIKey
QNKJFXARIMSDBR-UHFFFAOYSA-N
InChI
InChI=1S/C14H23Cl2N3O2/c15-6-8-18(9-7-16)10-11-19-12(20)14(17-13(19)21)4-2-1-3-5-14/h1-11H2,(H,17,21)
SMILES (canonical and isomeric)
C1CCC2(CC1)C(=O)N(C(=O)N2)CCN(CCCl)CCCl

Synonyms

  • Spirohydantoin mustard
  • Spiromustinum
  • Espiromustina
  • 1,3-Diazaspiro(4.5)decane-2,4-dione, 3-(2-(bis(2-chloroethyl)amino)ethyl)-
  • 1,3-diazaspiro(4,5)decane-2,4-dione,3-(2-(bis-chloroethyl)amino)ethyl
  • 3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
  • SHM
  • 3-(2-(Bis(2-chloroethyl)amino)ethyl)-5,5-pentamethylenehydantoin
  • 3-(2-(Bis(2-chloroethyl)amino)ethyl)-1,3-diazaspiro(4.5)decane-2,4-dione
  • Spiromustina
  • 3-{2-[Bis(2-chloroethyl)amino]ethyl}-1,3-diazaspiro[4.5]decane-2,4-dione
  • Speratine
  • 3-(2-(Bis(2-chloroethyl)amino)ethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
  • Spiromustine (USAN/INN)
  • 2-[2-[bis(2-chloroethyl)amino]ethyl]-2,4-diazaspiro[4.5]decane-1,3-dione
  • 1,4-dione, 3-[2-[bis(2-chloroethyl)amino]ethyl]-
  • 1, {3-Diazaspiro[4.5]decane-2,4-dione,} {3-[2-[bis(2-chloroethyl)amino]ethyl]-}
  • 3-((2-((Bis(2-chloroethyl)amino)ethyl))-1,3-diazaspiro(4,5)decane-2,4-dione
  • 3-(2-[Bis(2-chloroethyl)amino]ethyl)-1,3-diazaspiro[4.5]decane-2,4-dione #

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
336.26 g/molcalc.
Exact mass
335.1167 Dacalc.
LogP (octanol/water)
2.02calc.
Topological polar surface area
52.65 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
7calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
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=C1NC(=O)C2(CCCCC2)N1

O=C1NC(=O)C2(CCCCC2)N1

2 rings, 12 atoms, the 1,3-Diazaspiro[4.5]decane-2,4-dione ring system.

123 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.

Spiromustine suppliers

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Spiromustine 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 Spiromustine is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Spiromustine?

Spiromustine is a bifunctional nitrogen alkylating agent with antineoplastic activity and lipophilic properties.

What is the CAS number of Spiromustine?

The CAS registry number of Spiromustine is 56605-16-4.

What is the molecular formula and weight of Spiromustine?

The molecular formula of Spiromustine is C14H23Cl2N3O2 and its molar mass is 336.26 g/mol.

What is Spiromustine used for?

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

Is Spiromustine hazardous?

No GHS hazard classification for Spiromustine 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 Spiromustine?

Spiromustine is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Spiromustine?

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

What is the price of Spiromustine?

Suppliers quote Spiromustine 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 Spiromustine

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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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