Dienogest

CAS Number: 65928-58-7

Molecular Mass: 311.4 g/mol

Formula: C₂₀H₂₅NO₂

Smiles: C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N

Synonymes:

Dienogest, 65928-58-7, Dienogestril, Dienogestum, Endometrion, STS 557, STS-557, MJR-35, 17alpha-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile, 46M3EV8HHE, ZK 37659, M 18575, M-18575, 17-alpha-Cyanomethyl-17-beta-hydroxy-estra-4,9(10)-dien-3-one, 19-Norpregna-4,9-diene-21-nitrile, 17-hydroxy-3-oxo-, (17alpha)-, ZK-37659, CHEBI:70708, 17-Hydroxy-3-oxo-19-nor-17alpha-pregna-4,9-diene-21-nitrile, DTXSID80891478, 19-Norpregna-4,9-diene-21-nitrile, 17-hydroxy-3-oxo-, (17-alpha)-, [(17beta)-17-hydroxy-3-oxoestra-4,9-dien-17-yl]acetonitrile, ((17beta)-17-hydroxy-3-oxoestra-4,9-dien-17-yl)acetonitrile, 17 alpha-cyanomethyl-17 beta-hydroxyestra-4,9(10)-diene-3-one, RefChem:586937, 17 alpha-cyanomethyl-17 beta-hydroxy-13 beta-methylgona-4,9-dien-3-one, G03DB08, DTXCID101030584, Dienogestrel, Dinagest, Visanne, 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, MFCD00868356, 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, Dienogest [INN], Dienogestum [Latin], (17-hydroxy-3-oxoestra-4,9-dien-17beta-yl)acetonitrile, 17alpha-Cyanomethyl-17beta-hydroxyestra-4,9(10)-dien-3-one, BAY86-5258, UNII-46M3EV8HHE, Dienogest [USAN:INN:BAN], Dienogest CRS, Endometrion (TN), Dienogest, Dienogestril, Dinagest, STS 557, (17alpha)-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile, 17alpha-Cyanomethyl-17beta-hydroxyestra-4,9-dien-3-one, Dienogest (Standard), BAY 86-5258, DIENOGEST [JAN], DIENOGEST [MI], DIENOGEST [USAN], 17-alpha-Cyanomethyl-17-beta-hydroxyestra-4,9(10)-diene-3-one, DIENOGEST [VANDF], DIENOGEST [MART.], 17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile, DIENOGEST [WHO-DD], SCHEMBL37293, (17a)-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile, Dienogest (JAN/USAN/INN), GTPL7654, STS557, DIENOGEST [ORANGE BOOK], CHEMBL1201864, DIENOGEST [EP MONOGRAPH], Dienogest, >=98% (HPLC), HY-B0084R, SH-T00660AA, AZFLJNIPTRTECV-FUMNGEBKSA-N, GLXC-05824, HY-B0084, MSK10876, Dienogest for system suitability CRS, EBC-07864, s1251, AKOS015840152, AKOS015896680, AC-2166, CCG-267594, CS-1782, DB09123, FH21758, NCGC00346502-04, 2-[(1R,3aS,3bS,11aS)-1-hydroxy-11a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]acetonitrile, DA-72748, D5230, NS00000598, A10563, D03799, AB01566807_01, EN300-6477654, 17-Cyanomethyl-17-hydroxyestra-4, 9-dien-3-one, F794972, Q139160, SR-01000942230, SR-01000942230-1, BRD-K50853363-001-02-3, Dienogest, EuropePharmacopoeia (EP) Reference Standard, Z2235801839, 17-Hydroxy-3-oxo-17alpha-19-norpregna-4,9-diene-21-nitrile, Dienogest for system suitability, EuropePharmacopoeia (EP) Reference Standard

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Propanol	273.15	-	5.787	[385]
1-Propanol	278.15	-	6.818	[385]
1-Propanol	283.15	-	7.882	[385]
1-Propanol	288.15	-	9.184	[385]
1-Propanol	293.15	-	10.69	[385]
1-Propanol	298.15	-	12.38	[385]
1-Propanol	303.15	-	14.27	[385]
1-Propanol	308.15	-	16.43	[385]
1-Propanol	313.15	-	18.94	[385]
1-Propanol	318.15	-	21.71	[385]
Acetone	273.15	-	20.33	[385]
Acetone	278.15	-	21.54	[385]
Acetone	283.15	-	23.17	[385]
Acetone	288.15	-	24.74	[385]
Acetone	293.15	-	26.26	[385]
Acetone	298.15	-	28.26	[385]
Acetone	303.15	-	30.16	[385]
Acetone	308.15	-	32.47	[385]
Acetone	313.15	-	34.36	[385]
Acetone	318.15	-	37.03	[385]
Acetonitrile	273.15	-	7.636	[385]
Acetonitrile	278.15	-	9.042	[385]
Acetonitrile	283.15	-	10.37	[385]
Acetonitrile	288.15	-	12.1	[385]
Acetonitrile	293.15	-	13.8	[385]
Acetonitrile	298.15	-	16.13	[385]
Acetonitrile	303.15	-	18.37	[385]
Acetonitrile	308.15	-	21.17	[385]
Acetonitrile	313.15	-	23.98	[385]
Acetonitrile	318.15	-	27.32	[385]
Dimethylformamide	273.15	-	111.0	[385]
Dimethylformamide	278.15	-	116.0	[385]
Dimethylformamide	283.15	-	123.3	[385]
Dimethylformamide	288.15	-	126.9	[385]
Dimethylformamide	293.15	-	132.8	[385]
Dimethylformamide	298.15	-	138.6	[385]
Dimethylformamide	303.15	-	142.1	[385]
Dimethylformamide	308.15	-	146.1	[385]
Dimethylformamide	313.15	-	149.6	[385]
Dimethylformamide	318.15	-	153.0	[385]
Ethanol	273.15	-	5.356	[385]
Ethanol	278.15	-	6.627	[385]
Ethanol	283.15	-	8.207	[385]
Ethanol	288.15	-	10.15	[385]
Ethanol	293.15	-	12.46	[385]
Ethanol	298.15	-	15.28	[385]
Ethanol	303.15	-	18.7	[385]
Ethanol	308.15	-	22.88	[385]
Ethanol	313.15	-	27.49	[385]
Ethanol	318.15	-	33.27	[385]
Ethyl acetate	273.15	-	4.748	[385]
Ethyl acetate	278.15	-	5.43	[385]
Ethyl acetate	283.15	-	6.207	[385]
Ethyl acetate	288.15	-	6.903	[385]
Ethyl acetate	293.15	-	7.721	[385]
Ethyl acetate	298.15	-	8.654	[385]
Ethyl acetate	303.15	-	9.574	[385]
Ethyl acetate	308.15	-	10.57	[385]
Ethyl acetate	313.15	-	11.62	[385]
Ethyl acetate	318.15	-	12.78	[385]
Isopropanol	273.15	-	3.073	[385]
Isopropanol	278.15	-	3.724	[385]
Isopropanol	283.15	-	4.53	[385]
Isopropanol	288.15	-	5.369	[385]
Isopropanol	293.15	-	6.442	[385]
Isopropanol	298.15	-	7.786	[385]
Isopropanol	303.15	-	9.16	[385]
Isopropanol	308.15	-	10.96	[385]
Isopropanol	313.15	-	12.9	[385]
Isopropanol	318.15	-	15.02	[385]
Methanol	273.15	-	14.35	[385]
Methanol	278.15	-	16.39	[385]
Methanol	283.15	-	18.32	[385]
Methanol	288.15	-	20.86	[385]
Methanol	293.15	-	23.36	[385]
Methanol	298.15	-	26.38	[385]
Methanol	303.15	-	29.28	[385]
Methanol	308.15	-	32.91	[385]
Methanol	313.15	-	37.18	[385]
Methanol	318.15	-	41.47	[385]
Tetrahydrofuran	273.15	-	42.1	[385]
Tetrahydrofuran	278.15	-	45.43	[385]
Tetrahydrofuran	283.15	-	49.13	[385]
Tetrahydrofuran	288.15	-	53.98	[385]
Tetrahydrofuran	293.15	-	57.57	[385]
Tetrahydrofuran	298.15	-	61.15	[385]
Tetrahydrofuran	303.15	-	66.25	[385]
Tetrahydrofuran	308.15	-	69.73	[385]
Tetrahydrofuran	313.15	-	73.16	[385]
Tetrahydrofuran	318.15	-	76.17	[385]
Water	273.15	-	0.1042	[385]
Water	278.15	-	0.1118	[385]
Water	283.15	-	0.1208	[385]
Water	288.15	-	0.1309	[385]
Water	293.15	-	0.1413	[385]
Water	298.15	-	0.153	[385]
Water	303.15	-	0.1656	[385]
Water	308.15	-	0.1787	[385]
Water	313.15	-	0.1938	[385]
Water	318.15	-	0.2105	[385]
tert-Butyl methyl ether	273.15	-	0.6941	[385]
tert-Butyl methyl ether	278.15	-	0.7508	[385]
tert-Butyl methyl ether	283.15	-	0.8015	[385]
tert-Butyl methyl ether	288.15	-	0.8629	[385]
tert-Butyl methyl ether	293.15	-	0.9303	[385]
tert-Butyl methyl ether	298.15	-	0.9993	[385]
tert-Butyl methyl ether	303.15	-	1.073	[385]
tert-Butyl methyl ether	308.15	-	1.15	[385]
tert-Butyl methyl ether	313.15	-	1.243	[385]
tert-Butyl methyl ether	318.15	-	1.341	[385]

Molecule 3D descriptors

Descriptor	Value
PMI1	998.6801
PMI2	3352.8290
PMI3	3788.3324
NPR1	0.2636
NPR2	0.8850
RadiusOfGyration	3.6151
InertialShapeFactor	0.0009
Eccentricity	0.9646
Asphericity	0.4079
SpherocityIndex	0.3489
PBF	1.0240