1-[(3α,5β)-3-Hydroxy-3-methyl-20-oxo-19-norpregnan-21-yl]-1H-pyrazole-4-carbonitrile

CAS Registry Number®

1632051-40-1

CAS Name

1-[(3α,5β)-3-Hydroxy-3-methyl-20-oxo-19-norpregnan-21-yl]-1H-pyrazole-4-carbonitrile

Molecular Formula

C25H35N3O2

Molecular Mass

409.56

Cite this Page

1-[(3α,5β)-3-Hydroxy-3-methyl-20-oxo-19-norpregnan-21-yl]-1H-pyrazole-4-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1632051-40-1 (retrieved 2024-11-24) (CAS RN: 1632051-40-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H35N3O2/c1-24(30)9-7-18-17(11-24)3-4-20-19(18)8-10-25(2)21(20)5-6-22(25)23(29)15-28-14-16(12-26)13-27-28/h13-14,17-22,30H,3-11,15H2,1-2H3/t17-,18+,19-,20-,21+,22-,24-,25+/m1/s1

InChIKey

InChIKey=HARRKNSQXBRBGZ-GVKWWOCJSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@](C)(O)CC4)[H])[H])(CC1)[H])[H])(CC[C@@H]2C(CN5C=C(C#N)C=N5)=O)[H]

Canonical SMILES

N#CC=1C=NN(C1)CC(=O)C2CCC3C4CCC5CC(O)(C)CCC5C4CCC23C

Other Names for this Substance

  • 1H-Pyrazole-4-carbonitrile, 1-[(3α,5β)-3-hydroxy-3-methyl-20-oxo-19-norpregnan-21-yl]-
  • 1-[(3α,5β)-3-Hydroxy-3-methyl-20-oxo-19-norpregnan-21-yl]-1H-pyrazole-4-carbonitrile
  • SAGE 217
  • Zuranolone
  • SGE 797

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