Mespirenone

CAT: 0931-T71664-06Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T71664-06Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

87952-98-5

Target

Others

Related Pathways

Others

Purity

0.988

Bioactivity

Mespirenone is a spironolactone derivative and aldosterone antagonist with diuretic effects.

Smiles

C[C@@]12[C@]3([C@@]4([C@@](C4)([C@]1([C@]5([C@](CC2)([C@]6(C)C(C[C@H]5SC(C)=O)=CC(=O)C=C6)[H])[H])[H])[H])[H])OC(=O)CC3

Molecular Formula

C25H30O4S

Molecular Weight

426.57

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	87952-98-5
PubChem CID	65660
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
Molecular Formula	C25H30O4S
Molecular Weight	426.6
XLogP	3.9
Topological Polar Surface Area	85.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	30
Formal Charge	0
Complexity	935

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

CAS: 87952-98-5

CID: 65660

Formula: C25H30O4S

MW: 426.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	426.6
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	426.18648061
Monoisotopic Mass	426.18648061
Topological Polar Surface Area	85.7 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	935
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
282045-01	Mespirenone

Mespirenone

Chemical Information

Alternative Products

Popular Products