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Steroids and sterols

Estramustine phosphate

Also known as LS 299, Estramustine 17-(dihydrogen phosphate), Estradiol, 3-(bis(2-chloroethyl)carbamate) dihydrogen phosphate

CAS 4891-15-0Formula C23H32Cl2NO6PMolar mass 520.39 g/molEC 225-512-3
GHS signal word: Danger. Pictograms: Serious health hazard 6 suppliers listed
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Estramustine phosphate chemical structure, C23H32Cl2NO6P, CAS 4891-15-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4891-15-0
Formula
C23H32Cl2NO6P
Molar mass
520.39 g/mol
EC number
225-512-3
HS code
293723
Category
Steroids and sterols

What is Estramustine phosphate?

Plain description, key identifiers and synonyms

Estramustine phosphate is a steroid phosphate which is the 17-O-phospho derivative of estramustine. It is a carbamate ester, an organochlorine compound and a steroid phosphate. It is functionally related to an estramustine. It is a conjugate acid of an estramustine phosphate(2-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate
CAS number
4891-15-0 CAS number cross-checked
EC number
225-512-3
Molecular formula
C23H32Cl2NO6P
UNII
MUZ9585Y7B
InChIKey
ADFOJJHRTBFFOF-RBRWEJTLSA-N
InChI
InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19-,20+,21+,23+/m1/s1
Canonical SMILES
CC12CCC3c4ccc(OC(=O)N(CCCl)CCCl)cc4CCC3C1CCC2OP(=O)(O)O
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl

Synonyms

  • LS 299
  • Estramustine 17-(dihydrogen phosphate)
  • Estradiol, 3-(bis(2-chloroethyl)carbamate) dihydrogen phosphate
  • (17beta)-17-(phosphonooxy)estra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate
  • Estradiol, 3-[bis(2-chloroethyl)carbamate] dihydrogen phosphate
  • Emcyt (free acid)
  • (8R,9S,13S,14S,17S)-13-Methyl-17-(phosphonooxy)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl bis(2-chloroethyl)carbamate
  • [(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate
  • Estra-1,3,5(10)-triene-3,17beta-diol 3-[bis(2-chloroethyl)carbamate] 17-(dihydrogen phosphate)
  • Estramustinephosphate
  • Estra-1,3,5(10)-triene-3,17beta-diol 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phosphate)
  • estramustine-phosphate
  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phosphate)
  • 17beta-(Phosphonooxy)estra-1,3,5(10)-trien-3-yl bis(2-chloroethyl)carbamate
  • Estra-1,5(10)-triene-3,17-diol (17beta)-, 3-[bis(2-chloroethyl)carbamate] 17-(dihydrogen phosphate)

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
520.39 g/molcalc.
Exact mass
519.1344 Dacalc.
LogP (octanol/water)
5.3calc.
Topological polar surface area
96.3 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
33calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
5calc.
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

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 phosphate suppliers

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

All 6 suppliers
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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

6 suppliers in 3 countries

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Estramustine phosphate 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

Roles

  • antineoplastic agent
  • pharmaceutical

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

Frequently asked questions

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

What is Estramustine phosphate?

Estramustine phosphate is a steroid phosphate which is the 17-O-phospho derivative of estramustine. It is a carbamate ester, an organochlorine compound and a steroid phosphate. It is functionally related to an estramustine. It is a conjugate acid of an estramustine phosphate(2-).

What is the CAS number of Estramustine phosphate?

The CAS registry number of Estramustine phosphate is 4891-15-0.

What is the molecular formula and weight of Estramustine phosphate?

The molecular formula of Estramustine phosphate is C23H32Cl2NO6P and its molar mass is 520.39 g/mol.

What is Estramustine phosphate used for?

Known uses and roles of Estramustine phosphate include antineoplastic agent and pharmaceutical.

Is Estramustine phosphate hazardous?

Estramustine phosphate 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 phosphate?

Estramustine phosphate 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 phosphate?

CompoundList lists 6 suppliers of Estramustine phosphate in China, United States and Netherlands. 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 phosphate?

Suppliers quote Estramustine phosphate 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 phosphate

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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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