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Aliphatic and alicyclic building blocks

Pentamustine

Also known as Neptamustine, Salisburystin, neptamustina

CAS 73105-03-0Formula C8H16ClN3O2Molar mass 221.69 g/mol
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Pentamustine chemical structure, C8H16ClN3O2, CAS 73105-03-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
73105-03-0
Formula
C8H16ClN3O2
Molar mass
221.69 g/mol
HS code
292419
Category
Aliphatic and alicyclic building blocks

What is Pentamustine?

Plain description, key identifiers and synonyms

Pentamustine is a (2-chloroethy1)nitrosourea compound with antineoplastic activity. Petamustine was never marketed.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(2-chloroethyl)-3-(2,2-dimethylpropyl)-1-nitrosourea
CAS number
73105-03-0 CAS number cross-checked
Molecular formula
C8H16ClN3O2
UNII
VB67O9FBGM
InChIKey
UOAFGUOASVSLPK-UHFFFAOYSA-N
InChI
InChI=1S/C8H16ClN3O2/c1-8(2,3)6-10-7(13)12(11-14)5-4-9/h4-6H2,1-3H3,(H,10,13)
SMILES (canonical and isomeric)
CC(C)(C)CNC(=O)N(CCCl)N=O

Synonyms

  • Neptamustine
  • Salisburystin
  • neptamustina
  • Salisburystin (TN)
  • Neptamustine (INN)
  • Pentamustine (USAN)
  • 1-(2-Chlorethyl)-3-neopentyl-1-nitrosourea
  • 1-(2-Chloroethyl)-3-neopentyl-1-nitrosourea
  • Urea, N-(2-chloroethyl)-N'-(2,2-dimethylpropyl)-N-nitroso-
  • N-(2-Chloroethyl)-N'-(2,2-dimethylpropyl)-N-nitrosourea
  • NCNU
  • 1-(2-chloroethyl)-3-(2,2-dimethylpropyl)-1-nitrosourea
  • NCNU, Neptamustine
  • Neptamustinum
  • neopentylchloroethylnitrosourea
  • 1-Neopentyl-3-(2-Chloroethyl)-3-Nitrosourea

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
221.69 g/molcalc.
Exact mass
221.0931 Dacalc.
LogP (octanol/water)
1.96calc.
Topological polar surface area
61.77 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
14calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

Pentamustine suppliers

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Pentamustine 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 Pentamustine is traded under.

HS 2924.19Indicative HS code

Acyclic amides (including acyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$2.38B
−1.7% vs 2023, imports $2.22B
2019 to 2024
Top exporters
  1. China34.7%
  2. Germany12.5%
  3. India * partner reported6.8%
Top importers
  1. United States17.5%
  2. Germany8.8%
  3. India * partner reported6.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pentamustine?

Pentamustine is a (2-chloroethy1)nitrosourea compound with antineoplastic activity. Petamustine was never marketed.

What is the CAS number of Pentamustine?

The CAS registry number of Pentamustine is 73105-03-0.

What is the molecular formula and weight of Pentamustine?

The molecular formula of Pentamustine is C8H16ClN3O2 and its molar mass is 221.69 g/mol.

What is Pentamustine used for?

Known uses and roles of Pentamustine include building blocks in research and laboratory.

Is Pentamustine hazardous?

No GHS hazard classification for Pentamustine 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 Pentamustine?

Pentamustine is usually classified under HS code 292419 (Acyclic amides (including acyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pentamustine?

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

What is the price of Pentamustine?

Suppliers quote Pentamustine 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 Pentamustine

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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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