chempirical

Cyproterone

C22H27ClO3CAS 2098-66-0374.91 g/mol

Open in Covalent MOL file
OHOClO
AlcoholAlkeneKetoneVinyl halide

Properties

Molecular formula
C22H27ClO3
Molar mass
374.91 g/mol
Exact mass
374.1649 Da
Melting point
237.5–240 °C
logP
4.04Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
R, S, R, R, S, S, S, Sin SMILES atom order

Identifiers

CAS number
2098-66-0
SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C
InChIKey
DUSHUSLJJMDGTE-ZJPMUUANSA-N
InChI
InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • 3′H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione, 6-chloro-1,2-dihydro-17-hydroxy-, (1β,2β)-
  • 3′H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione, 6-chloro-1β,2β-dihydro-17-hydroxy-
  • Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-1α,2α-methylene-
  • (1β,2β)-6-Chloro-1,2-dihydro-17-hydroxy-3′H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione
  • 6-Chloro-17-hydroxy-1α,2α-methylenepregna-4,6-diene-3,20-dione
  • SH 80881
  • 1,2α-Methylene-6-chloro-6-17α-hydroxyprogesterone
  • 6-Chloro-6-dehydro-17α-hydroxy-1,2α-methyleneprogesterone
  • 6-Chloro-1,2α-methylene-4,6-pregnadien-17α-ol-3,20-dione
  • SH 881

Work with Cyproterone

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

Cyproterone acetate427-51-073 % similar Megestrol3562-63-854 % similar Nomegestrol58691-88-646 % similar Chlormadinone acetate302-22-745 % similar Gestonorone2137-18-043 % similar 17β-Hydroxyprogesterone604-09-141 % similar 17α-Hydroxyprogesterone68-96-241 % similar Medroxyprogesterone520-85-441 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook