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zuranolone

PropertiesImage
MNX_IDMNXM1130157 Image of MNXM1130157
referencechebi:228302
formulaC25H35N3O2
global charge0
mol weight409.574
InChIKeyHARRKNSQXBRBGZ-GVKWWOCJSA-N
InChIInChI=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
SMILESC[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)CN4C=C(C#N)C=N4)CC[C@@H]32)C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1130157
SMILES (mnx)[CH3:1][C@@:24]1([OH:30])[CH2:9][CH2:7][C@H:18]2[C@H:17]([CH2:3][CH2:4][C@@H:20]3[C@@H:19]2[CH2:8][CH2:10][C@@:25]2([CH3:2])[C@H:21]3[CH2:5][CH2:6][C@@H:22]2[C:23]([CH2:15][N:28]2[CH:14]=[C:16]([C:12]#[N:26])[CH:13]=[N:27]2)=[O:29])[CH2:11]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:228302
chebi:228302
HARRKNSQXBRBGZ-GVKWWOCJSA-N 		zuranolone
1-(3alpha-hydroxy-3beta-methyl-20-oxo-5beta-19-norpregnan-21-yl)-1H-pyrazole-4-carbonitrile
1-[(3alpha,5beta)-3-hydroxy-3-methyl-20-oxo-19-norpregnan-21-yl]-1H-pyrazole-4-carbonitrile
BIIB-125
BIIB125
S-812217
SAGE 217
SAGE-217
SAGE217
SGE 797
SGE-797
Zurzuvae
zuranolonum

kegg.drug:D11793
keggD:D11793
HARRKNSQXBRBGZ-GVKWWOCJSA-N 		Zuranolone (JAN/USAN/INN)
Zurzuvae (TN)

keggD:M_D11793 		secondary/obsolete/fantasy identifier