Registration Dossier

Diss Factsheets

IUPAC name:
(R)-4-(4-dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile hemi (2R, 3R)-2,3-bis((4-methylbenzoyl)oxy)succinoate

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C20H23FN2O2 · ½ C20H18O8
Molecular weight:
ca. 535.59
SMILES notation:
O[C@@](C1=C(CO)C=C(C#N)C=C1)(CCC[NH+](C)C)C2=CC=C(F)C=C2.O=C([C@H]([C@@H](C([O-])=O)OC(C3=CC=C(C)C=C3)=O)OC(C4=CC=C(C)C=C4)=O)[O-].O[C@@](C5=C(CO)C=C(C#N)C=C5)(CCC[NH+](C)C)C6=CC=C(F)C=C6
Structural formula:
Chemical structure

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