 Home > Encyclopedia > Mespirenone

Mespirenone

Mespirenone structure

CAS No:
87952-98-5
Formula:
C25H30O4S
Chemical Name:
Mespirenone
Synonyms:
Mespirenone;(7a,15a,16a,17a)-7-(Acetylthio)-15,16-dihydro-17-hydroxy-3-oxo-3'H-cyclopropa[15,16]pregna-1,4,15-triene-21-carboxylic Acid -Lactone;ZK 94679;(17S)-7α-(Acetylthio)-15α,16α-dihydro-17-hydroxy-3-oxo-3'H-cyclopropa[15,16]pregna-1,4,15-triene-21-carboxylic acid γ-lactone;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;7alpha-Acetylthio-15beta,16beta-methylen-3-oxo-1,4-pregnadien-21,17beta-carbolacton;Mespirenona;Mespirenona [spanish]
Categories:
Biochemical Engineering > Protein Research

Description

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.

Mespirenone Basic Attributes

Molecular Weight：

426.574

Exact Mass：

426.18600

UNII：

E91TME2I23

NCI Thesaurus Code：

C83938

Characteristics

PSA：

85.74000

XLogP3：

4.48420

Density：

1.3g/cm3

Boiling Point：

614.3ºC at 760 mmHg

Flash Point：

314.2ºC

Refractive Index：

1.62

Drug Information

MeSH Entry Terms：

7alpha-acetylthio-15beta,16beta-methylene-3-oxo-17alpha-pregna-1,4-diene-21,17-carbolactone

Mespirenone Use and Manufacturing

A new mineralocorticoid antagonist; has an inhibition effect on aldosterone-induced hypertension.

Computed Properties

Molecular Weight:426.6
XLogP3:3.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:426.18648061
Monoisotopic Mass:426.18648061
Topological Polar Surface Area:85.7
Heavy Atom Count:30
Complexity:935
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes