CAS 78693-86-4

1-Propanone, 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-phenyl-, rel-, (2Z)-2-butenedioate (1:1) (salt)

Description:

1-Propanone, 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-phenyl-, rel-, (2Z)-2-butenedioate (1:1) (salt), with CAS number 78693-86-4, is a complex organic compound characterized by its specific structural features. It contains a piperidine ring, which contributes to its potential biological activity, and a phenyl group that may enhance its interaction with biological targets. The presence of a hydroxyphenyl moiety suggests potential for hydrogen bonding, which can influence solubility and reactivity. The compound is likely to exhibit polar characteristics due to the functional groups present, which may affect its pharmacokinetics and bioavailability. As a salt, it may have improved stability and solubility compared to its neutral form. This compound is of interest in medicinal chemistry, particularly for its potential therapeutic applications, although specific biological activities and mechanisms would require further investigation. Overall, its unique structure positions it as a candidate for research in drug development and related fields.

Formula: C₂₂H₂₇NO₂·C₄H₄O₄

InChI: InChI=1/C22H27NO2.C4H4O4/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19;5-3(6)1-2-4(7)8/h3-10,15,17,24H,11-14,16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-,22+;/s2

InChI key: InChIKey=TWYLONQMNDTRBI-UDXBVAJDNA-N

SMILES: C[C@]1([C@H](C)CN(CCC(=O)C2=CC=CC=C2)CC1)C3=CC(O)=CC=C3.C(=C\C(O)=O)\C(O)=O

Synonyms:

• 1-Propanone, 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-phenyl-, rel-, (2Z)-2-butenedioate (1:1) (salt)
• 1-Propanone, 3-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-phenyl-, cis-(±)-, (Z)-2-butenedioate (1:1) (salt)
• 1-Propanone, 3-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-phenyl-, cis-, (Z)-2-butenedioate (1:1) (salt)
• LY 88329

LY 88329

CAS: 78693-86-4

LY 88329 is a narcotic antagonist in the class of phenylpiperidine.

Formula: C₂₆H₃₁NO₆

Color and Shape: Solid

Molecular weight: 453.535

Ref: TM-T27925