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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H28FN3O2
Molecular Weight 385.475
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AC-90679

SMILES

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

InChI

InChIKey=MLEABXFVMFPOFF-UHFFFAOYSA-N
InChI=1S/C22H28FN3O2/c1-25-13-11-20(12-14-25)26(16-18-3-7-19(23)8-4-18)22(27)24-15-17-5-9-21(28-2)10-6-17/h3-10,20H,11-16H2,1-2H3,(H,24,27)

HIDE SMILES / InChI

Molecular Formula C22H28FN3O2
Molecular Weight 385.475
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 Thu Jul 06 20:15:47 UTC 2023
Edited
by admin
on Thu Jul 06 20:15:47 UTC 2023
Record UNII
GFQ3G4K6JH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AC-90679
Code English
N-((4-FLUOROPHENYL)METHYL)-N'-((4-METHOXYPHENYL)METHYL)-N-(1-METHYL-4-PIPERIDINYL)UREA
Systematic Name English
1-((4-FLUOROPHENYL)METHYL)-3-((4-METHOXYPHENYL)METHYL)-1-(1-METHYL-4-PIPERIDYL)UREA
Systematic Name English
O-DE(ISOBUTYL)-O-METHYL PIMAVANSERIN
Common Name English
PIMAVANSERIN METABOLITE (AC-90679)
Common Name English
UREA, N-((4-FLUOROPHENYL)METHYL)-N'-((4-METHOXYPHENYL)METHYL)-N-(1-METHYL-4-PIPERIDINYL)-
Systematic Name English
Code System Code Type Description
CAS
1134815-56-7
Created by admin on Thu Jul 06 20:15:48 UTC 2023 , Edited by admin on Thu Jul 06 20:15:48 UTC 2023
PRIMARY
FDA UNII
GFQ3G4K6JH
Created by admin on Thu Jul 06 20:15:48 UTC 2023 , Edited by admin on Thu Jul 06 20:15:48 UTC 2023
PRIMARY
PUBCHEM
57625338
Created by admin on Thu Jul 06 20:15:48 UTC 2023 , Edited by admin on Thu Jul 06 20:15:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE