chempirical

Clostebol

C19H27ClO2CAS 1093-58-9322.87 g/mol

Open in Covalent MOL file
ClOHO
AlcoholAlkeneKetoneVinyl halide

Properties

Molecular formula
C19H27ClO2
Molar mass
322.87 g/mol
Exact mass
322.1700 Da
Melting point
189 °C
logP
4.45Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Stereocentres
S, S, R, R, S, Sin SMILES atom order

Identifiers

CAS number
1093-58-9
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
InChIKey
KCZCIYZKSLLNNH-FBPKJDBXSA-N
InChI
InChI=1S/C19H27ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13,16,22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • Androst-4-en-3-one, 4-chloro-17-hydroxy-, (17β)-
  • Androst-4-en-3-one, 4-chloro-17β-hydroxy-
  • Testosterone, 4-chloro-
  • (17β)-4-Chloro-17-hydroxyandrost-4-en-3-one
  • 4-Chlorotestosterone
  • Cholostebol
  • 4-Chloro-17β-hydroxyandrost-4-en-3-one
  • Chlortestosterone
  • 4-Chloro-3-oxo-17β-hydroxyandrost-4-ene
  • 4-Androstene-4-chloro-17β-ol-3-one

Work with Clostebol

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

(17β)-17-(Acetyloxy)-4-chloroandrost-4-en-3-one855-19-666 % similar Epitestosterone481-30-158 % similar Testosterone58-22-058 % similar 4-Androstenediol1156-92-952 % similar Dihydrotestosterone521-18-651 % similar Boldenone846-48-046 % similar Formestane566-48-346 % similar 1α-Methyl-5α-androstan-17β-ol-3-one1424-00-645 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook