chempirical

Trimegestone

C22H30O3CAS 74513-62-5342.48 g/mol

Open in Covalent MOL file
HOOO
AlcoholAlkeneKetone

Properties

Molecular formula
C22H30O3
Molar mass
342.48 g/mol
Exact mass
342.2195 Da
logP
4.15Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
S, S, S, S, Sin SMILES atom order

Identifiers

CAS number
74513-62-5
SMILES
C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C
InChIKey
JUNDJWOLDSCTFK-MTZCLOFQSA-N
InChI
InChI=1S/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • Estra-4,9-dien-3-one, 17-[(2S)-2-hydroxy-1-oxopropyl]-17-methyl-, (17β)-
  • Estra-4,9-dien-3-one, 17-(2-hydroxy-1-oxopropyl)-17-methyl-, [17β(S)]-
  • (17β)-17-[(2S)-2-Hydroxy-1-oxopropyl]-17-methylestra-4,9-dien-3-one
  • RU 27987

Work with Trimegestone

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

Dienogest65928-58-757 % similar 17β-Hydroxyestra-4,9-dien-3-one6218-29-754 % similar Estra-4,9-diene-3,17-dione5173-46-651 % similar Methyltrienolone965-93-541 % similar Trenbolone10161-33-840 % similar Altrenogest850-52-237 % similar Gestrinone16320-04-037 % similar Trendione4642-95-937 % similar

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

Same formula

Megestrol3562-63-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook