chempirical

(17β)-17-(Acetyloxy)-4-chloroandrost-4-en-3-one

C21H29ClO3CAS 855-19-6364.91 g/mol

Open in Covalent MOL file
OOClO
AlkeneEsterKetoneVinyl halide

Properties

Molecular formula
C21H29ClO3
Molar mass
364.91 g/mol
Exact mass
364.1805 Da
Melting point
228–230 °C
logP
5.02Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1
Stereocentres
S, S, R, R, S, Sin SMILES atom order

Hazards

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number
855-19-6
SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
XYGMEFJSKQEBTO-KUJXMBTLSA-N
InChI
InChI=1S/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1

Weigh it out

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

Names and synonyms

19 names · show all
  • Androst-4-en-3-one, 17-(acetyloxy)-4-chloro-, (17β)-
  • Androst-4-en-3-one, 4-chloro-17β-hydroxy-, acetate
  • Testosterone, 4-chloro-, acetate
  • 17β-Acetoxy-4-chloroandrost-4-en-3-one
  • 4-Chloro-17β-hydroxyandrost-4-en-3-one 17-acetate
  • 4-Chlorotestosterone acetate
  • Macrobin
  • Steranabol
  • Stearanabol
  • Chlorotestosterone acetate
  • 4-Chlorotestosterone 17-acetate
  • Megagrisevit
  • Anabolit
  • Sterabol
  • Test-anabol
  • Testomed
  • Clostebol acetate
  • NSC 72159
  • 4-Androstene-4-chloro-17β-ol-3-one acetate

Work with (17β)-17-(Acetyloxy)-4-chloroandrost-4-en-3-one

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

Clostebol1093-58-966 % similar Testosterone 17-acetate1045-69-862 % similar 17β-Acetoxyandrosta-1,4-dien-3-one2363-59-950 % similar Nandrolone acetate1425-10-148 % similar Methenolone acetate434-05-948 % similar 17β-Hydroxyandrost-4-en-3-one propionate57-85-246 % similar 3β-Acetoxy-5α-androstan-17-one1239-31-245 % similar Testosterone isocaproate15262-86-945 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook