chempirical

Drospirenone

C24H30O3CAS 67392-87-4366.50 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterKetoneLactone

Properties

Molecular formula
C24H30O3
Molar mass
366.50 g/mol
Exact mass
366.2195 Da
Melting point
201.3 °C
logP
4.31Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0
Stereocentres
R, R, R, R, S, S, S, S, S, Sin SMILES atom order

Identifiers

CAS number
67392-87-4
SMILES
C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12
InChIKey
METQSPRSQINEEU-HXCATZOESA-N
InChI
InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Spiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2′(5′H)-furan]-3,5′(2H)-dione, 1,3′,4′,6,7,8,9,10,11,12,13,14,15,16,20,21-hexadecahydro-10,13-dimethyl-, (2′S,6R,7R,8R,9S,10R,13S,14S,15S,16S)-
  • Spiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2′(5′H)-furan]-3,5′(2H)-dione, 1,3′,4′,6,7,8,9,10,11,12,13,14,15,16,20,21-hexadecahydro-10,13-dimethyl-, [6R-(6α,7α,8β,9α,10β,13β,14α,15α,16α,17β)]-
  • (2′S,6R,7R,8R,9S,10R,13S,14S,15S,16S)-1,3′,4′,6,7,8,9,10,11,12,13,14,15,16,20,21-Hexadecahydro-10,13-dimethylspiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2′(5′H)-furan]-3,5′(2H)-dione
  • 1,2-Dihydrospirorenone
  • Dihydrospirorenone
  • ZK 30595
  • 3-Oxo-6β,7β:15β,16β-dimethylene-17α-pregn-4-en-21,17-carbolactone
  • BRN 4765500
  • CCRIS 6523
  • Drospirenona
  • 6β,7β:15β,16β-Dimethylene-3-oxo-17α-pregn-4-ene-21,17-carbolactone
  • 17β-Hydroxy-6β,7β:15β,16β-dimethylene-3-oxo-17α-pregn-4-ene-21-carboxylic acid γ-lactone

Work with Drospirenone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Canrenone976-71-645 % similar Spironolactone52-01-742 % similar Medroxyprogesterone acetate71-58-942 % similar Medroxyprogesterone520-85-440 % similar Hydroxyprogesterone caproate630-56-840 % similar 11α-Hydroxycanrenone192569-17-840 % similar 11α-Hydroxymexrenone192704-56-639 % similar Ethisterone434-03-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook