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Steroids and sterols

Estramustine

Also known as Estramustinum, Estramustina, Leo-275

CAS 2998-57-4Formula C23H31Cl2NO3Molar mass 440.41 g/molEC 221-076-3
GHS signal word: Danger. Pictograms: Serious health hazard 29 suppliers listed
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Estramustine chemical structure, C23H31Cl2NO3, CAS 2998-57-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2998-57-4
Formula
C23H31Cl2NO3
Molar mass
440.41 g/mol
EC number
221-076-3
HS code
293723
Category
Steroids and sterols

What is Estramustine?

Plain description, key identifiers and synonyms

Estramustine is a carbamate ester obtained by the formal condensation of the hydroxy group of 17beta-estradiol with the carboxy group of bis(2-chloroethyl)carbamic acid. It has a role as an alkylating agent, an antineoplastic agent and a radiation protective agent. It is a carbamate ester, a 17beta-hydroxy steroid and an organochlorine compound. It is functionally related to a 17beta-estradiol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate
CAS number
2998-57-4 CAS number cross-checked
EC number
221-076-3
Molecular formula
C23H31Cl2NO3
UNII
35LT29625A
MDL number
MFCD00866377
InChIKey
FRPJXPJMRWBBIH-RBRWEJTLSA-N
InChI
InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1
Canonical SMILES
CC12CCC3c4ccc(OC(=O)N(CCCl)CCCl)cc4CCC3C1CCC2O
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl

Synonyms

  • Estramustinum
  • Estramustina
  • Leo-275
  • LEO 275
  • Leo275
  • Estradiol 3-(N,N-bis(2-chloroethyl)carbamate)
  • 17beta-Estradiol 3-(bis(2-chloroethyl)carbamate)
  • [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate
  • Estradiol 3-[bis(2-chloroethyl)carbamate]
  • RO 21-8837
  • Ro 22-2296/000
  • Ro-22-2296/000
  • Estradiol 3-(bis(2-chloroethyl)carbamate)
  • Ro-22-2296000
  • Estradiol 3-[N,N-Bis(2-chloroethyl)carbamate]
  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(bis(2-chloroethyl)carbamate)
  • estra-1,3,5(10)-triene-3,17beta-diol, 3-[bis(2-chloroethyl)carbamate]
  • estra-1,3,5(10)-triene-3,17beta-diol, 3-(bis(2-chloroethyl)carbamate)
  • ((8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthren-3-yl) N,N-bis(2-chloroethyl)carbamate
  • Estramustin Phosphate
  • Phosphate, Estramustin
  • estradiol 3-bis(2-chloroethyl)carbamate
  • estra-1,3,5(10)triene-317beta-diol 3-(N,N-bis-(2-chloroethyl)carbamate)
  • 17beta-(estra-1,3,5(10)-triene-3,17-diol 3-(bis(2-chloroethyl)carbamate))
  • C23H31Cl2NO3
Show all 31 synonyms
  • Estradiol, 3-[bis(2-chloroethyl)carbamate]
  • Ro-22-2296-000
  • Estradiol, 3-(bis(2-chloroethyl)carbamate)
  • 17beta-Estradiol 3-[bis(2-chloroethyl)carbamate]
  • Estramustine (USAN/INN)
  • estramustin

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
440.41 g/molcalc.
Exact mass
439.1681 Dacalc.
LogP (octanol/water)
5.18calc.
Topological polar surface area
49.77 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)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)CCC1C2CCC2CCCC21

c1ccc2c(c1)CCC1C2CCC2CCCC21

4 rings, 17 atoms.

585 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H351Suspected of causing cancer.
  • H360May damage fertility or the unborn child.
Precautionary statements (5)
  • P203Obtain, read and follow all safety instructions before use.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P318If exposed or concerned, get medical advice.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Estramustine suppliers

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

All 29 suppliers
29 of 29 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

29 suppliers in 10 countries

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Estramustine 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

Pharmacological actions

  • Antineoplastic Agents, Alkylating
  • Antineoplastic Agents, Hormonal

Roles

  • aetiopathogenetic role
  • alkylating agent
  • antineoplastic agent
  • genotoxin
  • mutagen
  • pharmaceutical
  • protective agent
  • radiation protective agent

Pharmacology

Estramustine is an Alkylating Drug. The mechanism of action of estramustine is as an Alkylating Activity.

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 Estramustine is traded under.

HS 2937.23Indicative HS code

Oestrogens and progestogens

World exports in 2024
$762M
−2.3% vs 2023, imports $693M
2019 to 2024
Top exporters
  1. China42.9%
  2. Italy18.4%
  3. Netherlands8.9%
Top importers
  1. India * partner reported12.1%
  2. United States11.0%
  3. Belgium8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Estramustine?

Estramustine is a carbamate ester obtained by the formal condensation of the hydroxy group of 17beta-estradiol with the carboxy group of bis(2-chloroethyl)carbamic acid. It has a role as an alkylating agent, an antineoplastic agent and a radiation protective agent.

What is the CAS number of Estramustine?

The CAS registry number of Estramustine is 2998-57-4.

What is the molecular formula and weight of Estramustine?

The molecular formula of Estramustine is C23H31Cl2NO3 and its molar mass is 440.41 g/mol.

What is Estramustine used for?

Known uses and roles of Estramustine include aetiopathogenetic role, alkylating agent, antineoplastic agent, genotoxin, mutagen and 5 more.

Is Estramustine hazardous?

Estramustine carries the GHS signal word "Danger". Main hazards: suspected of causing cancer, may damage fertility or the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Estramustine?

Estramustine is usually classified under HS code 293723 (Oestrogens and progestogens). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Estramustine?

CompoundList lists 29 suppliers of Estramustine in China, United States, United Kingdom, Canada and 6 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Estramustine?

Suppliers quote Estramustine 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 Estramustine

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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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