Dienogest

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Systematic / IUPAC Name: 2-[(8S,13S,14S,17R)-17-Hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile

ID: Reference3174

Other Names: Dienogestrel;
Dienogestum;
Dinagest;
Visanne;
(17-Hydroxy-3-oxoestra-4,9-dien-17β-yl)acetonitrile ; more

Formula: C20H25NO2

Class: Therapeutics/Prescription Drugs

Spectral Data

Dienogest 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 Orbitrap
No. of Spectral Trees 2
No. of Spectra 112
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/23/2015 10:56:31 AM
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Identificators

InChI InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1
InChI Key AZFLJNIPTRTECV-FUMNGEBKSA-N
Canonical SMILES CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(CC#N)O
CAS 65928587
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Other Names Dienogestrel;
Dienogestum;
Dinagest;
Visanne;
(17-Hydroxy-3-oxoestra-4,9-dien-17β-yl)acetonitrile;
[(17?)-17-Hydroxy-3-oxoestra-4,9-dien-17-yl]acetonitrile;
17 α-Cyanomethyl-17 β-hydroxy-13 β-methylgona-4,9-dien-3-one;
17 α-Cyanomethyl-17 β-hydroxyestra-4,9(10)-diene-3-one;
17α-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile;
17α-Cyanomethyl-17β-hydroxyestra-4,9(10)-dien-3-one;
17a-Cyanomethyl-17b-hydroxy-estra-4,9(10)-dien-3-one;
17-Hydroxy-3-oxo-19-nor-17α-pregna-4,9-diene-21-nitrile;
19-Norpregna-4,9-diene-21-nitrile, 17-hydroxy-3-oxo-, (17α)-;
2-[(8S,13S,14S,17R)-17-Hydroxy-13-methyl-3-oxo-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]acetonitrile

In Other Databases

ChemSpider 62093
KEGG D03799
PubChem 68861
Wikipedia Dienogest
ChemIDPlus 065928587
ChEBI CHEBI:70708