ChemicalBook--->CAS DataBase List--->488787-59-3

488787-59-3

488787-59-3 Structure

488787-59-3 Structure
IdentificationBack Directory
[Name]

(-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
[CAS]

488787-59-3
[Synonyms]

(S)-Citadiol
-1-hydroxybutyl)
-4-(4-(Dimethylamino)
EscitalopraM interMediate B
Escitalopram Oxalate Impurity E as (S)-Enantiomer free base
Escitalopram Oxalate EP Impurity E as (S)-Enantiomer free base
(-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
(S)-4-(4-(DiMethylaMino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxyMethyl)benzonitrile
4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)Benzonitrile
(-)4-[4-(dimethylamino)-1-(4'-fluorophenyl)-1-hydroxy-butyl]-3-(hydroxymethyl)-benzonitrile
(S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-1-butyl]-3-(hydroxymethyl)benzonitrile
Benzonitrile, 4-[(1S)-4-(diMethylaMino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxyMethyl)-
(-)-1-(4-cyano-2-hydroxymethylphenyl)-4-(dimethylamino)-1-(4-fluorophenyl)butan-1-ol hydrobromide
[EINECS(EC#)]

430-770-7
[Molecular Formula]

C20H23FN2O2
[MDL Number]

MFCD16661208
[MOL File]

488787-59-3.mol
[Molecular Weight]

342.41
Chemical PropertiesBack Directory
[Boiling point ]

537.2±50.0 °C(Predicted)
[density ]

1.22±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

12.97±0.29(Predicted)
[InChI]

InChI=1S/C20H23FN2O2/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24/h4-9,12,24-25H,3,10-11,14H2,1-2H3/t20-/m0/s1
[InChIKey]

GNULRNVWXYXBQY-FQEVSTJZSA-N
[SMILES]

C(#N)C1=CC=C([C@](C2=CC=C(F)C=C2)(O)CCCN(C)C)C(CO)=C1
Hazard InformationBack Directory
[Uses]

(S)-Citadiol is an intermediate in the synthesis of Citalopram, Hydrobromide Salt (C505000), an inhibitor of serotonin (5-HT) uptake making it an antidepressant.
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