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Steroids and sterols

Alestramustine

Also known as alestramustina, Estradiol 3-(bis(2-chloroethyl)carbamate), 17-ester with L-alanine, L-Alanine, (17.beta.)-3-(((bis(2-chloroethyl)amino)carbonyl)oxy)estra-1,3,5(10)-trien-17-yl ester

CAS 139402-18-9Formula C26H36Cl2N2O4Molar mass 511.49 g/mol
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Alestramustine chemical structure, C26H36Cl2N2O4, CAS 139402-18-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
139402-18-9
Formula
C26H36Cl2N2O4
Molar mass
511.49 g/mol
HS code
293723
Category
Steroids and sterols

What is Alestramustine?

Plain description, key identifiers and synonyms

Alestramustine is the l-alanine ester form of estramustine, a combination of the nitrogen mustard normustine coupled via a carbamate to estradiol, with antineoplastic activity. Upon conversion of alestramustine to estramustine, estramustine binds to microtubule-associated proteins (MAPs) and beta tubulin, thereby interfering with microtubule dynamics and leading to microtubule disassembly and cell cycle arrest. Due to the estrogen moiety, this agent is able to selectively bind to and be taken up by estrogen receptor-positive cells.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-aminopropanoate
CAS number
139402-18-9
Molecular formula
C26H36Cl2N2O4
UNII
81U8A51CHK
InChIKey
NRUFLTXGIPFVSH-KBVRNWHJSA-N
InChI
InChI=1S/C26H36Cl2N2O4/c1-16(29)24(31)34-23-8-7-22-21-5-3-17-15-18(33-25(32)30(13-11-27)14-12-28)4-6-19(17)20(21)9-10-26(22,23)2/h4,6,15-16,20-23H,3,5,7-14,29H2,1-2H3/t16-,20+,21+,22-,23-,26-/m0/s1
Canonical SMILES
CC(N)C(=O)OC1CCC2C3CCc4cc(OC(=O)N(CCCl)CCCl)ccc4C3CCC12C
Isomeric SMILES
C[C@@H](C(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl)C)N

Synonyms

  • alestramustina
  • Estradiol 3-(bis(2-chloroethyl)carbamate), 17-ester with L-alanine
  • L-Alanine, (17.beta.)-3-(((bis(2-chloroethyl)amino)carbonyl)oxy)estra-1,3,5(10)-trien-17-yl ester
  • alestramustinum
  • L-Alanine, (17beta)-3-(((bis(2-chloroethyl)amino)carbonyl)oxy)estra-1,3,5(10)-trien-17-yl ester
  • [(8R,9S,13S,14S,17S)-3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-aminopropanoate

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
511.49 g/molcalc.
Exact mass
510.2052 Dacalc.
LogP (octanol/water)
5.08calc.
Topological polar surface area
81.86 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
34calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Fails (2 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, 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

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.

Alestramustine suppliers

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Where suppliers are based

1 supplier in 1 country

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Alestramustine 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

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

What is Alestramustine?

Alestramustine is the l-alanine ester form of estramustine, a combination of the nitrogen mustard normustine coupled via a carbamate to estradiol, with antineoplastic activity.

What is the CAS number of Alestramustine?

The CAS registry number of Alestramustine is 139402-18-9.

What is the molecular formula and weight of Alestramustine?

The molecular formula of Alestramustine is C26H36Cl2N2O4 and its molar mass is 511.49 g/mol.

Is Alestramustine hazardous?

No GHS hazard classification for Alestramustine 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 Alestramustine?

Alestramustine 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 Alestramustine?

CompoundList lists 1 supplier of Alestramustine 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 Alestramustine?

Suppliers quote Alestramustine 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 Alestramustine

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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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