chempirical

Ethisterone

C21H28O2CAS 434-03-7312.45 g/mol

Open in Covalent MOL file
HOO
AlcoholAlkeneAlkyneKetone

Properties

Molecular formula
C21H28O2
Molar mass
312.45 g/mol
Exact mass
312.2089 Da
Melting point
272 °C
logP
3.88Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Stereocentres
R, S, R, R, S, Sin SMILES atom order

Identifiers

CAS number
434-03-7
SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIKey
CHNXZKVNWQUJIB-CEGNMAFCSA-N
InChI
InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1

Weigh it out

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

Names and synonyms

48 names · show all
  • Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17α)-
  • 17α-Pregn-4-en-20-yn-3-one, 17-hydroxy-
  • Testosterone, 17-ethynyl-
  • (17α)-17-Hydroxypregn-4-en-20-yn-3-one
  • Anhydrohydroxyprogesterone
  • Anhydroxyprogesterone
  • Colutoid
  • 17α-Ethynyl-4-androsten-17β-ol-3-one
  • 17α-Ethynyl-17β-hydroxy-4-androsten-3-one
  • 17-Ethynyl-17β-hydroxyandrost-4-en-3-one
  • 17-Ethynyl-17-hydroxy-3-ketoandrostene-4
  • 17α-Ethynyltestosterone
  • Gestoral
  • 17-Hydroxy-17α-pregn-4-en-20-yn-3-one
  • Lucorteum oral
  • Lutidon oral
  • Lutocylol
  • Ora-lutin
  • Pranone
  • Pregneninolone
  • Pregnin
  • Primolut C
  • Prodroxan
  • Progestab
  • Progestoral
  • Proluton C
  • Prone
  • Syngestrotabs
  • Trosinone
  • Ethynyltestosterone
  • 17α-Ethynyl-17-hydroxyandrost-4-en-3-one
  • Ethinyltestosterone
  • 17β-Hydroxy-17α-ethynylandrost-4-en-3-one
  • Aethisteron
  • Progestolets
  • Ethinone
  • Prolutol
  • Prodoxan
  • Produxan
  • Nalutoral
  • Nugestoral
  • Progestin P
  • 17β-Hydroxy-17α-pregn-4-en-20-yn-3-one
  • 4-Androsten-17α-ethinyl-17β-ol-3-one
  • Lutocyclol
  • Lutocyclin-linguetten
  • NSC 9565
  • Pregn-4-en-17β-ol-3-on-20-yne

Work with Ethisterone

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

Methyltestosterone58-18-469 % similar 17β-Hydroxyprogesterone604-09-164 % similar Norethindrone68-22-464 % similar 17α-Hydroxyprogesterone68-96-264 % similar 11-Deoxycortisol152-58-962 % similar 17-Acetoxyisopregn-4-ene-3,20-dione17308-02-057 % similar Progesterone acetate302-23-857 % similar Androstenedione63-05-856 % similar

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

Same formula

Pregna-4,16-diene-3,20-dione1096-38-4 Pregna-4,6-diene-3,20-dione1162-56-7 Dydrogesterone152-62-5 Z-Guggulsterone39025-23-5 Tibolone5630-53-5 Norgestrel6533-00-2 Levonorgestrel797-63-7 Guggulsterone95975-55-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook