chempirical

Dienogest

C20H25NO2CAS 65928-58-7311.43 g/mol

Open in Covalent MOL file
OOHN
AlcoholAlkeneKetoneNitrile

Properties

Molecular formula
C20H25NO2
Molar mass
311.43 g/mol
Exact mass
311.1885 Da
logP
3.84Crippen estimate
Polar surface area
61.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
S, S, S, Rin SMILES atom order

Identifiers

CAS number
65928-58-7
SMILES
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N
InChIKey
AZFLJNIPTRTECV-FUMNGEBKSA-N
InChI
InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 19-Norpregna-4,9-diene-21-nitrile, 17-hydroxy-3-oxo-, (17α)-
  • (17α)-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile
  • STS 557
  • Dienogestril
  • 17α-Cyanomethyl-17β-hydroxyestra-4, 9-dien-3-one
  • Dinagest

Work with Dienogest

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

Trimegestone74513-62-557 % similar 17β-Hydroxyestra-4,9-dien-3-one6218-29-752 % similar Estra-4,9-diene-3,17-dione5173-46-651 % similar Altrenogest850-52-245 % similar Methyltrienolone965-93-543 % similar Norethandrolone52-78-841 % similar Mifepristone84371-65-340 % similar Gestrinone16320-04-039 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook