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Mestranol chemical structure, C21H26O2, CAS 72-33-3
2D chemical structure

Key facts

What buyers check first

Appearance
Crystals from methanol or acetone
Melting point
151 °C
Solubility
In double-distilled water, 0.32 mg/L
HS code
293723
Category
Hormones and steroids
Illustrative photo, drums, an IBC tote and sacks in a chemical warehouse in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Mestranol?

Plain description, key identifiers and synonyms

Mestranol is a terminal acetylenic compound that is (17alpha)-17-ethynylestra-1(10),2,4-triene substituted by a methoxy group at position 3 and a hydroxy group at position 17. It has a role as a prodrug and a xenoestrogen. It is a 17beta-hydroxy steroid, an aromatic ether and a terminal acetylenic 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,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
CAS number
72-33-3 CAS number cross-checked
EC number
200-777-8
Molecular formula
C21H26O2
UNII
B2V233XGE7
MDL number
MFCD00003689
InChIKey
IMSSROKUHAOUJS-MJCUULBUSA-N
InChI
InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
Canonical SMILES
C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC

Synonyms

  • Norquen
  • Ovastol
  • Menophase
  • Mestranolum
  • Ethynylestradiol 3-methyl ether
  • 3-Methoxyethynylestradiol
  • 3-Methylethynylestradiol
  • Ethynylestradiol methyl ether
  • Mestranolo
  • Compound 33355
  • 3-Methoxy-17alpha-ethynylestradiol
  • Ethinylestradiol 3-methyl ether
  • Ethynyloestradiol 3-methyl ether
  • 17alpha-Ethynylestradiol 3-methyl ether
  • 3-Methoxy-17alpha-ethinylestradiol
  • 17-Ethynylestradiol 3-methyl ether
  • 3-Methoxy-17alpha-ethinyloestradiol
  • 17-Ethynyloestradiol 3-methyl ether
  • 17alpha-Ethynylestradiol methyl ether
  • 17alpha-Ethinylestradiol 3-methyl ether
  • 17alpha-Ethynyloestradiol 3-methyl ether
  • (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
  • 17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol
  • 3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-17-ol
  • 19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17alpha)-
Show all 38 synonyms
  • (17alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
  • Ethinyl Estradiol 3 Methyl Ether
  • Ethinyl Estradiol 3-Methyl Ether
  • (1S,10R,11S,14R,15S)-14-ethynyl-5-methoxy-15-methyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-2(7),3,5-trien-14-ol
  • (1S,10R,11S,14R,15S)-14-ethynyl-5-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-ol
  • (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthren-17-ol
  • (1S,10R,11S,14R,15S)-14-ethynyl-5-methoxy-15-methyltetracyclo(8.7.0.02,7.011,15)heptadeca-2(7),3,5-trien-14-ol
  • Devocin
  • EE(sub3)ME
  • Inostral
  • 3-O-Methylethynylestradiol
  • 3-Methylethynyloestradiol
  • 3-Methoxyethynyloestradiol

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

Appearance
Crystals from methanol or acetoneexp.
Melting point
151 °Cexp.
Solubility
In double-distilled water, 0.32 mg/Lexp.
Vapour pressure
9.75 × 10⁻⁹exp.

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
310.44 g/molcalc.
Exact mass
310.1933 Dacalc.
LogP (octanol/water)
3.92calc.
Topological polar surface area
29.46 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
23calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.62calc.
Formal charge
0calc.
Stereocentres
5calc.
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, 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
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H351Suspected of causing cancer.
  • H360May damage fertility or the unborn child.
  • H362May cause harm to breast-fed children.
Precautionary statements (22)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P263Avoid contact during pregnancy and while nursing.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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

Mestranol suppliers

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Where suppliers are based

57 suppliers in 10 countries

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Mestranol 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

For Mestranol (USEPA/OPP PC Code: 115401) there are 0 labels match.

Synthetic steriodal estrogen...

Therapeutic category: Estrogen, in combination with progestogen as an oral contraceptive.

Use classes: Pharmaceuticals.

Pharmacological actions

  • Contraceptives, Oral, Hormonal
  • Estrogens

Roles

  • agonist
  • endocrine disruptor
  • estrogen
  • hormone
  • hormone receptor modulator
  • molecular messenger
  • pharmaceutical
  • pro-agent
  • prodrug
  • receptor modulator
  • sex hormone
  • xenoestrogen

Pharmacology

Mestranol is an Estrogen. The mechanism of action of mestranol is as an Estrogen Receptor Agonist.

How it is made

Estrone is converted to its 3-methoxy analog by reaction with methyl sulfate. The ethynyl group may then be introduced at position 17 either through reaction with sodium acetylide in liquid ammonia followed by hydrolysis of the sodoxy compound, or through grignardization with ethynyl bromide.

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 Mestranol 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 Mestranol is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Mestranol?

Mestranol is a terminal acetylenic compound that is (17alpha)-17-ethynylestra-1(10),2,4-triene substituted by a methoxy group at position 3 and a hydroxy group at position 17. It has a role as a prodrug and a xenoestrogen. It is a 17beta-hydroxy steroid, an aromatic ether and a terminal acetylenic compound.

What is the CAS number of Mestranol?

The CAS registry number of Mestranol is 72-33-3.

What is the molecular formula and weight of Mestranol?

The molecular formula of Mestranol is C21H26O2 and its molar mass is 310.44 g/mol.

What is Mestranol used for?

For Mestranol (USEPA/OPP PC Code: 115401) there are 0 labels match. Synthetic steriodal estrogen... Therapeutic category: Estrogen, in combination with progestogen as an oral contraceptive. Use classes: Pharmaceuticals.

Is Mestranol hazardous?

Mestranol carries the GHS signal word "Danger". Main hazards: harmful if swallowed, harmful in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Mestranol?

Mestranol 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 Mestranol?

CompoundList lists 57 suppliers of Mestranol in United States, China, Spain, United Kingdom 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 Mestranol?

Suppliers quote Mestranol 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 Mestranol

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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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