U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H28FN3O3
Molecular Weight 401.4744
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((4-FLUOROPHENYL)METHYL)-3-((4-HYDROXY-3-METHOXY-PHENYL)METHYL)-1-(1-METHYL-4-PIPERIDYL)UREA

SMILES

COC1=C(O)C=CC(CNC(=O)N(CC2=CC=C(F)C=C2)C3CCN(C)CC3)=C1

InChI

InChIKey=RICZFASTZCTMMF-UHFFFAOYSA-N
InChI=1S/C22H28FN3O3/c1-25-11-9-19(10-12-25)26(15-16-3-6-18(23)7-4-16)22(28)24-14-17-5-8-20(27)21(13-17)29-2/h3-8,13,19,27H,9-12,14-15H2,1-2H3,(H,24,28)

HIDE SMILES / InChI

Molecular Formula C22H28FN3O3
Molecular Weight 401.4744
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 14:23:46 GMT 2023
Edited
by admin
on Sat Dec 16 14:23:46 GMT 2023
Record UNII
8K6UX2VJ49
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((4-FLUOROPHENYL)METHYL)-3-((4-HYDROXY-3-METHOXY-PHENYL)METHYL)-1-(1-METHYL-4-PIPERIDYL)UREA
Systematic Name English
AC-271336+CH3
Code English
PIMAVANSERIN METABOLITE (AC-271336+CH3)
Common Name English
Code System Code Type Description
PUBCHEM
155804715
Created by admin on Sat Dec 16 14:23:46 GMT 2023 , Edited by admin on Sat Dec 16 14:23:46 GMT 2023
PRIMARY PUBCHEM
FDA UNII
8K6UX2VJ49
Created by admin on Sat Dec 16 14:23:46 GMT 2023 , Edited by admin on Sat Dec 16 14:23:46 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE