Danazol

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Systematic / IUPAC Name: (1R,3aS,3bR,10aR,10bS,12aS)-1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol

ID: Reference2012

Other Names: Danol;
Cyclomen;
Chronogyn;
Ladogal;
Winobanin ; more

Formula: C22H27NO2

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Danazol 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 Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/14/2015 9:38:43 AM
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Identificators

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
InChI Key POZRVZJJTULAOH-LHZXLZLDSA-N
Canonical SMILES CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5
CAS 17230885
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Other Names Danol;
Cyclomen;
Chronogyn;
Ladogal;
Winobanin;
Danazolum;
Danzol;
Anatrol;
Danazole;
Danokrin;
Panacrine;
17-α-Pregn-4-en-20-yno(2,3-d)isoxazol-17-ol;
17-α-2,4-Pregnadien-20-yno(2,3-d)isoxazol-17-ol;
17α-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol;
Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol,(17α)-;
Danovaol;
Bonzol;
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]isoxazol-1-ol;
(17a)-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol;
17a-Pregna-2,4-dien-20-yne-[2,3-d]isoxazole-17b-ol;
1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol

In Other Databases

ChEBI CHEBI:4315
ChemIDPlus 017230885
Wikipedia Danazol
PubChem 28417
ChEMBL CHEMBL1479
KEGG D00289; C06938
HMDb HMDB02835
ChemSpider 26436