chempirical

Danazol

C22H27NO2CAS 17230-88-5337.46 g/mol

Open in Covalent MOL file
HOON
AlcoholAlkeneAlkyne

Properties

Molecular formula
C22H27NO2
Molar mass
337.46 g/mol
Exact mass
337.2042 Da
Melting point
225.6 °C
logP
4.22Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
R, S, R, R, S, Sin SMILES atom order

Identifiers

CAS number
17230-88-5
SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C
InChIKey
POZRVZJJTULAOH-LHZXLZLDSA-N
InChI
InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1

Weigh it out

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

Names and synonyms

20 names · show all
  • Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol, (17α)-
  • 17α-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol
  • 1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol, 1-ethynyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-10a,12a-dimethyl-
  • 1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazole, pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol deriv.
  • (17α)-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol
  • Win 17757
  • Danocrine
  • Danzol
  • Cyclomen
  • Danazolum
  • 17α-Pregna-2,4-dien-20-yne-[2,3-d]isoxazole-17β-ol
  • Chronogyn
  • Winobanin
  • Ladogal
  • Danovaol
  • Bonzol
  • Danol
  • NSC 270916
  • Danatrol
  • Danalem

Work with Danazol

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

Ethisterone434-03-755 % similar Lynestrenol52-76-644 % similar Norethindrone68-22-443 % similar Ethinylestradiol57-63-640 % similar Mestranol72-33-338 % similar Quinestrol152-43-237 % similar Methyltestosterone58-18-436 % similar 17β-Hydroxyprogesterone604-09-136 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook