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Steroids and sterols

Mespirenone

Also known as Mespirenona, Mespirenonum, ZK-94 679

CAS 87952-98-5Formula C25H30O4SMolar mass 426.58 g/mol
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Mespirenone chemical structure, C25H30O4S, CAS 87952-98-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
87952-98-5
Formula
C25H30O4S
Molar mass
426.58 g/mol
HS code
293220
Category
Steroids and sterols

What is Mespirenone?

Plain description, key identifiers and synonyms

Mespirenone is a spironolactone derivative and aldosterone antagonist with diuretic activity. Mespirenone, after in vivo metabolization, inhibits aldosterone synthase (steroid 18-hydroxylase), thereby preventing the synthesis of aldosterone in addition to the synthesis of other mineralocorticoids. The blockade of aldosterone synthesis results in increased sodium and water excretion while reducing potassium excretion within the kidney. Mespirenone has a short half-life and is metabolized completely into active metabolites.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
S-[(1'R,2S,2'S,3'S,5'S,7'S,10'S,11'R,18'R)-7',11'-dimethyl-5,14'-dioxospiro[oxolane-2,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-diene]-18'-yl] ethanethioate
CAS number
87952-98-5
Molecular formula
C25H30O4S
UNII
E91TME2I23
InChIKey
CPHJTSJQUQZOLJ-ISIDMKFXSA-N
InChI
InChI=1S/C25H30O4S/c1-13(26)30-19-11-14-10-15(27)4-7-23(14,2)17-5-8-24(3)22(21(17)19)16-12-18(16)25(24)9-6-20(28)29-25/h4,7,10,16-19,21-22H,5-6,8-9,11-12H2,1-3H3/t16-,17+,18+,19-,21+,22+,23+,24+,25+/m1/s1
Canonical SMILES
CC(=O)SC1CC2=CC(=O)C=CC2(C)C2CCC3(C)C(C4CC4C34CCC(=O)O4)C12
Isomeric SMILES
CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@@]2([C@@H]3[C@@H]1[C@@H]4[C@@H]5C[C@@H]5[C@]6([C@]4(CC3)C)CCC(=O)O6)C

Synonyms

  • Mespirenona
  • Mespirenonum
  • ZK-94 679
  • 7',11'-dimethyl-5,14'-dioxospiro(tetrahydrofuran-2,6'-pentacyclo(8.8.0.02,7.03,5.011,16)octadeca-12',15'-diene)-18-yl ethanethioate
  • 7alpha-acetylthio-15beta,16beta-methylene-3-oxo-17alpha-pregna-1,4-diene-21,17-carbolactone
  • ZK 94679
  • 7alpha-Acetylthio-15beta,16beta-methylen-3-oxo-1,4-pregnadien-21,17beta-carbolacton
  • 15alpha,16alpha-dihydro-17-hydroxy-7alpha-mercapto-3-oxo-3'h-cyclopropa(15,16)-17alpha-pregna-1,4,15-triene-21-carboxylic acid, g-lactone, acetate
  • 15alpha,16alpha-Dihydro-17-hydroxy-7alpha-mercapto-3-oxo-3'H-cyclopropa(15,16)-17alpha-pregna-1,4,15-triene-21-carboxylic acid, gamma-lactone, acetate

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
426.58 g/molcalc.
Exact mass
426.1865 Dacalc.
LogP (octanol/water)
4.48calc.
Topological polar surface area
60.44 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
30calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.72calc.
Formal charge
0calc.
Stereocentres
9calc.
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, O=C1C=CC2C(=C1)CCC1C2CCC2C1C1CC1C21CCC(=O)O1

O=C1C=CC2C(=C1)CCC1C2CCC2C1C1CC1C21CCC(=O)O1

6 rings, 24 atoms.

1 other chemical 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.

Mespirenone suppliers

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Mespirenone 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 Mespirenone is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Mespirenone?

Mespirenone is a spironolactone derivative and aldosterone antagonist with diuretic activity. Mespirenone, after in vivo metabolization, inhibits aldosterone synthase (steroid 18-hydroxylase), thereby preventing the synthesis of aldosterone in addition to the synthesis of other mineralocorticoids.

What is the CAS number of Mespirenone?

The CAS registry number of Mespirenone is 87952-98-5.

What is the molecular formula and weight of Mespirenone?

The molecular formula of Mespirenone is C25H30O4S and its molar mass is 426.58 g/mol.

Is Mespirenone hazardous?

No GHS hazard classification for Mespirenone 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 Mespirenone?

Mespirenone is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Mespirenone?

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What is the price of Mespirenone?

Suppliers quote Mespirenone 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 Mespirenone

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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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