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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H23ClN6O2.ClH
Molecular Weight 487.382
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DARIDOREXANT HYDROCHLORIDE

SMILES

Cl.COC1=CC(C(=O)N2CCC[C@@]2(C)C3=NC4=C(C)C(Cl)=CC=C4N3)=C(C=C1)N5N=CC=N5

InChI

InChIKey=HJVGDXBEMFHGKI-BQAIUKQQSA-N
InChI=1S/C23H23ClN6O2.ClH/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30;/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28);1H/t23-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C23H23ClN6O2
Molecular Weight 450.921
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
9X9581N56R
Record Status Validated (UNII)
Record Version