1-Propanone, 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-phenyl-, rel-, (2Z)-2-butenedioate (1:1) (salt)
CAS Registry Number®
78693-86-4
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CAS Name
1-Propanone, 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-phenyl-, rel-, (2Z)-2-butenedioate (1:1) (salt)Molecular Formula
C22H27NO2.C4H4O4Cite this Page
1-Propanone, 3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-phenyl-, rel-, (2Z)-2-butenedioate (1:1) (salt). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=78693-86-4 (retrieved ) (CAS RN: 78693-86-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
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
InChIKey
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
Canonical SMILES
O=C(O)C=CC(=O)O.O=C(C=1C=CC=CC1)CCN2CCC(C=3C=CC=C(O)C3)(C)C(C)C2
Other Names for this Substance
- 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)
- LY 88329
- 1-Propanone, 3-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-phenyl-, cis-, (Z)-2-butenedioate (1:1) (salt)
