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Mespirenone

CAT: 1410-M36373-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Mespirenone is a spironolactone derivative and aldosterone antagonist with diuretic effects.
CAS Number
87952-98-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
426.57
Molecular Formula
C25H30O4S
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Mespirenone

Mespirenone is a small molecule drug. The usage of the INN stem '-renone' in the name indicates that Mespirenone is a mineralocorticoid receptor (MR, MCR, aldosterone receptor) antagonist. Mespirenone has a monoisotopic molecular weight of 426.19 Da.

CAS Number87952-98-5
PubChem CID65660
IUPAC NameS-[(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
Molecular FormulaC25H30O4S
Molecular Weight426.6
XLogP3.9
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity935
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
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
InChIKey
CPHJTSJQUQZOLJ-ISIDMKFXSA-N
Chemical Structure
2D Structure
2D structure of Mespirenone
CAS: 87952-98-5
CID: 65660
Formula: C25H30O4S
MW: 426.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.6
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass426.18648061
Monoisotopic Mass426.18648061
Topological Polar Surface Area85.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity935
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T71664-01Mespirenone

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