chempirical

Trilostane

C20H27NO3CAS 13647-35-3329.44 g/mol

Open in Covalent MOL file
OHONOH
AlcoholAlkeneEpoxideEtherNitrile

Properties

Molecular formula
C20H27NO3
Molar mass
329.44 g/mol
Exact mass
329.1991 Da
Melting point
264 °C (decomposes)
logP
3.47Crippen estimate
Polar surface area
76.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0
Stereocentres
S, S, S, S, R, R, S, Sin SMILES atom order

Identifiers

CAS number
13647-35-3
SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O
InChIKey
KVJXBPDAXMEYOA-CXANFOAXSA-N
InChI
InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • Androst-2-ene-2-carbonitrile, 4,5-epoxy-3,17-dihydroxy-, (4α,5α,17β)-
  • (4α,5α,17β)-4,5-Epoxy-3,17-dihydroxyandrost-2-ene-2-carbonitrile
  • Win 24540
  • Modrenal
  • Modrefen
  • Desopan
  • Modrastane
  • Vetoryl

Work with Trilostane

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

Boldenone846-48-037 % similar 3α-Androstanediol1852-53-537 % similar 3β-Androstanediol571-20-037 % similar Dihydrotestosterone521-18-636 % similar 4-Androstenediol1156-92-935 % similar 5α-Androst-1-ene-3β,17β-diol5323-27-335 % similar Androstenediol521-17-535 % similar Methenolone153-00-435 % similar

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

Same formula

α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol24085-03-8 α1-[[(1,1-Dimethylethyl)amino]methyl]-4-(phenylmethoxy)-1,3-benzenedimethanol56796-66-8 Tralkoxydim87820-88-0

Elsewhere

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