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Heterocyclic building blocks

Ecomustine

Also known as Ecomustina, Ecomustinum, alpha-D-arabino-Hexopyranoside, methyl 3-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2,3-dideoxy-

CAS 98383-18-7Formula C10H18ClN3O6Molar mass 311.72 g/mol
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Ecomustine chemical structure, C10H18ClN3O6, CAS 98383-18-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
98383-18-7
Formula
C10H18ClN3O6
Molar mass
311.72 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Ecomustine?

Plain description, key identifiers and synonyms

Ecomustine is a water-soluble nitrosoureido sugar derived from acosamine, with alkylating activity. Ecomustine alkylates and crosslinks DNA, thereby inhibiting replication and transcription and eventually resulting in a reduction of cellular proliferation.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(2-chloroethyl)-3-[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]-1-nitrosourea
CAS number
98383-18-7
Molecular formula
C10H18ClN3O6
UNII
7369R4J7S2
InChIKey
YQYBWJPESSJLTK-HXFLIBJXSA-N
InChI
InChI=1S/C10H18ClN3O6/c1-19-8-4-6(9(16)7(5-15)20-8)12-10(17)14(13-18)3-2-11/h6-9,15-16H,2-5H2,1H3,(H,12,17)/t6-,7-,8+,9+/m1/s1
Canonical SMILES
COC1CC(NC(=O)N(CCCl)N=O)C(O)C(CO)O1
Isomeric SMILES
CO[C@@H]1C[C@H]([C@@H]([C@H](O1)CO)O)NC(=O)N(CCCl)N=O

Synonyms

  • Ecomustina
  • Ecomustinum
  • alpha-D-arabino-Hexopyranoside, methyl 3-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2,3-dideoxy-
  • Methyl 3-(3-(2-chloroethyl)-3-nitrosoureido)-2,3-dideoxy-alpha-D-arabino-hexapyranoside
  • alpha-D-arabino-Hexopyranoside, methyl 3-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2,3-dideoxy-
  • methyl 3-(3-(2-chloroethyl)-3-nitrosoureido)-2,3-dideoxyarabinohexopyranoside
  • 1-(2-chloroethyl)-3-[(2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]-1-nitrosourea
  • CY 233
  • Methyl 3-(3-(2-chloroethyl)-3-nitrosoureido)-2,3-dideoxy-alpha-D-arabino-hexopyranoside
  • 1-(2-Chloroethyl)-3-((2R,3S,4R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-4-yl)-1-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
311.72 g/molcalc.
Exact mass
311.0884 Dacalc.
LogP (octanol/water)
-0.6calc.
Topological polar surface area
120.7 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
6calc.
Heavy atoms
20calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
4calc.
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, C1CCOCC1

C1CCOCC1

1 ring, 6 atoms, the Tetrahydropyran ring system.

12,069 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.

Ecomustine suppliers

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Where suppliers are based

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Ecomustine 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 Ecomustine is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ecomustine?

Ecomustine is a water-soluble nitrosoureido sugar derived from acosamine, with alkylating activity. Ecomustine alkylates and crosslinks DNA, thereby inhibiting replication and transcription and eventually resulting in a reduction of cellular proliferation.

What is the CAS number of Ecomustine?

The CAS registry number of Ecomustine is 98383-18-7.

What is the molecular formula and weight of Ecomustine?

The molecular formula of Ecomustine is C10H18ClN3O6 and its molar mass is 311.72 g/mol.

What is Ecomustine used for?

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

Is Ecomustine hazardous?

No GHS hazard classification for Ecomustine 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 Ecomustine?

Ecomustine is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ecomustine?

CompoundList lists 1 supplier of Ecomustine 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 Ecomustine?

Suppliers quote Ecomustine 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

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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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