CAS 488787-59-3: (-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

Description: The chemical substance known as (-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile, with the CAS number 488787-59-3, is a synthetic organic compound characterized by its complex structure, which includes a benzonitrile moiety and multiple functional groups such as a dimethylamino group and a hydroxymethyl group. This compound is typically studied for its potential pharmacological properties, particularly in the context of medicinal chemistry. The presence of the dimethylamino group suggests it may exhibit basic properties, while the hydroxymethyl and hydroxybutyl groups can influence its solubility and reactivity. The fluorophenyl substituent may enhance its biological activity or selectivity. As with many compounds in this class, its stereochemistry is significant, as the (-) designation indicates a specific enantiomer, which can have different biological effects compared to its counterpart. Overall, this compound's unique structural features make it a subject of interest in drug development and chemical research.

Formula: C₂₀H₂₃FN₂O₂

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

InChI key: InChIKey=GNULRNVWXYXBQY-FQEVSTJZSA-N

SMILES: N#CC1=CC=C(C(=C1)CO)C(O)(C2=CC=C(F)C=C2)CCCN(C)C

Synonyms:

• (-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
• (1S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
• (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile
• (S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-1-butyl]-3-(hydroxymethyl)benzonitrile
• (S)-Citadiol
• 4-[(1S)-4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
• Benzonitrile, 4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-

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

CAS: 488787-59-3

• Formula: C₂₀H₂₃FN₂O₂
• Purity: 98%
• Molecular weight: 342.4072

(S)-Citadiol

CAS: 488787-59-3

• Formula: C₂₀H₂₃FN₂O₂
• Color and Shape: White To Off-White Solid
• Molecular weight: 342.41

(S)-Citadiol

CAS: 488787-59-3

• Formula: C₂₀H₂₃FN₂O₂
• Color and Shape: Neat
• Molecular weight: 342.41

(S)-Citadiol

CAS: 488787-59-3

(S)-Citadiol is a stereospecific, supercritical fluid extract of Salix alba L. that is obtained by …

• Formula: C₂₀H₂₃FN₂O₂
• Purity: Min. 95%
• Molecular weight: 342.41 g/mol