Trilostane

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Systematic / IUPAC Name: (4α,5α,17β)-3,17-Dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile

ID: Reference6143

Other Names: Desopan ;
Modrastane;
Modrenal ;
Trilostano;
Trilostanum ; more

Formula: C20H27NO3

Class: Therapeutics/Prescription Drugs

Spectral Data

Trilostane mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 4376
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/12/2016 8:33:27 AM
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Identificators

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
InChI Key KVJXBPDAXMEYOA-CXANFOAXSA-N
Canonical SMILES CC12CCC3C(C1CCC2O)CCC45C3(CC(=C(C4O5)O)C#N)C
CAS 13647353
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Other Names Desopan ;
Modrastane;
Modrenal ;
Trilostano;
Trilostanum;
Vetoryl;
Win 24,540;
Win-24540;
(1aR,4aR,4bS,6aS,7S,9aS,9bS,11aS)-2,7-Dihydroxy-4a,6a-dimethyl-1a,4,4a,4b,5,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[7,8]phenanthro[1,10a-b]oxirene-3-carbonitrile;
3,17β-Dihydroxy-4α,5-epoxy-5α-androst-2-ene-2-carbonitrile;
4α,5-Epoxy-3,17β-dihydroxy-5α-androst-2-ene-2-carbonitrile;
Androst-2-ene-2-carbonitrile, 4,5-epoxy-3,17-dihydroxy-, (4a,5a,17b)-;
Modrefen

In Other Databases

ChEMBL CHEMBL1200907
ChemSpider 570949
KEGG D01180; C12580
Wikipedia Trilostane
PubChem 656583
HMDb HMDB15240
ChEBI CHEBI:32260
DrugBank DB01108