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Details

Stereochemistry ACHIRAL
Molecular Formula C24H32FN3O3
Molecular Weight 429.5276
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DEMETHYLPIMAVANSERIN, (DE(O-ISOBUTYL)-O-(2-HYDROXY-ISOBUTYL))-

SMILES

CC(C)(O)COC1=CC=C(CNC(=O)N(CC2=CC=C(F)C=C2)C3CCNCC3)C=C1

InChI

InChIKey=BXOLVUFMOMRAKV-UHFFFAOYSA-N
InChI=1S/C24H32FN3O3/c1-24(2,30)17-31-22-9-5-18(6-10-22)15-27-23(29)28(21-11-13-26-14-12-21)16-19-3-7-20(25)8-4-19/h3-10,21,26,30H,11-17H2,1-2H3,(H,27,29)

HIDE SMILES / InChI

Molecular Formula C24H32FN3O3
Molecular Weight 429.5276
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:03:33 GMT 2023
Edited
by admin
on Sat Dec 16 15:03:33 GMT 2023
Record UNII
3L7Z38BL67
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DEMETHYLPIMAVANSERIN, (DE(O-ISOBUTYL)-O-(2-HYDROXY-ISOBUTYL))-
Common Name English
1-((4-FLUOROPHENYL)METHYL)-3-((4-(2-HYDROXY-2-METHYL-PROPOXY)PHENYL)METHYL)-1-(4-PIPERIDYL)UREA
Common Name English
PIMAVANSERIN METABOLITE M25
Common Name English
Code System Code Type Description
FDA UNII
3L7Z38BL67
Created by admin on Sat Dec 16 15:03:33 GMT 2023 , Edited by admin on Sat Dec 16 15:03:33 GMT 2023
PRIMARY
PUBCHEM
138319985
Created by admin on Sat Dec 16 15:03:33 GMT 2023 , Edited by admin on Sat Dec 16 15:03:33 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE