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Details

Stereochemistry ACHIRAL
Molecular Formula C21H26FN3O3
Molecular Weight 387.4478
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AC-271336

SMILES

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

InChI

InChIKey=CKSHXDJQHFMDQL-UHFFFAOYSA-N
InChI=1S/C21H26FN3O3/c1-28-20-12-16(4-7-19(20)26)13-24-21(27)25(18-8-10-23-11-9-18)14-15-2-5-17(22)6-3-15/h2-7,12,18,23,26H,8-11,13-14H2,1H3,(H,24,27)

HIDE SMILES / InChI

Molecular Formula C21H26FN3O3
Molecular Weight 387.4478
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 14:46:32 GMT 2023
Edited
by admin
on Sat Dec 16 14:46:32 GMT 2023
Record UNII
Z6B9HCK55C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AC-271336
Code English
PIMAVANSERIN METABOLITE (AC-2713360)
Common Name English
UREA, N-((4-FLUOROPHENYL)METHYL)-N'-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-N-4-PIPERIDINYL-
Systematic Name English
1-((4-FLUOROPHENYL)METHYL)-3-((4-HYDROXY-3-METHOXY-PHENYL)METHYL)-1-(4-PIPERIDYL)UREA
Systematic Name English
Code System Code Type Description
FDA UNII
Z6B9HCK55C
Created by admin on Sat Dec 16 14:46:32 GMT 2023 , Edited by admin on Sat Dec 16 14:46:32 GMT 2023
PRIMARY
PUBCHEM
68758263
Created by admin on Sat Dec 16 14:46:32 GMT 2023 , Edited by admin on Sat Dec 16 14:46:32 GMT 2023
PRIMARY
CAS
1246458-23-0
Created by admin on Sat Dec 16 14:46:32 GMT 2023 , Edited by admin on Sat Dec 16 14:46:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE