| Identification | Back Directory | [Name]
lygtf | [CAS]
1632051-40-1 | [Synonyms]
217
lygtf
CS-2797
SAGE-217
Zuranolone
SAGE-217; SAGE 217; SAGE217;1632051-40-1
1H-Pyrazole-4-carbonitrile, 1-[(3α,5β)-3-hydroxy-3-methyl-20-oxo-19-norpregnan-21-yl]-
1-[2-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]pyrazole-4-carbonitrile | [Molecular Formula]
C25H35N3O2 | [MDL Number]
MFCD31619241 | [MOL File]
1632051-40-1.mol | [Molecular Weight]
409.56 |
| Chemical Properties | Back Directory | [Boiling point ]
574.3±30.0 °C(Predicted) | [density ]
1.32±0.1 g/cm3(Predicted) | [solubility ]
DMF: 30 mg/ml; DMF:PBS (pH 7.2) (1:2): 0.33 mg/ml; DMSO: 10 mg/ml | [form ]
A crystalline solid | [pka]
15.17±0.60(Predicted) | [InChIKey]
HARRKNSQXBRBGZ-BOBURQISNA-N | [SMILES]
C[C@]12CC[C@]3([H])[C@@]4([H])CC[C@](O)(C)C[C@@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CN1N=CC(C#N)=C1 |&1:1,4,6,10,14,18,20,24,r| |
|
|