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Details

Stereochemistry ACHIRAL
Molecular Formula C25H32FN3O2
Molecular Weight 425.5398
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EXO-DEHYDRO-PIMAVANSERIN

SMILES

C=C(C)COc1ccc(cc1)CN=C(N(Cc2ccc(cc2)F)C3CCN(C)CC3)O

InChI

InChIKey=ZPSIMBGXXJZQNF-UHFFFAOYSA-N
InChI=1S/C25H32FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,23H,1,12-18H2,2-3H3,(H,27,30)

HIDE SMILES / InChI

Molecular Formula C25H32FN3O2
Molecular Weight 425.5398
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 Fri Jun 25 22:38:15 UTC 2021
Edited
by admin
on Fri Jun 25 22:38:15 UTC 2021
Record UNII
4E85SPA42S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EXO-DEHYDRO-PIMAVANSERIN
Common Name English
UREA, N-((4-FLUOROPHENYL)METHYL)-N-(1-METHYL-4-PIPERIDINYL)-N'-((4-((2-METHYL-2-PROPEN-1-YL)OXY)PHENYL)METHYL)-
Systematic Name English
AC-356
Code English
PIMAVANSERIN METABOLITE (AC-271356)
Common Name English
AC-271356
Code English
1-((4-FLUOROPHENYL)METHYL)-3-((4-(2-METHYLALLYLOXY)PHENYL)METHYL)-1-(1-METHYL-4-PIPERIDYL)UREA
Systematic Name English
Code System Code Type Description
PUBCHEM
46935340
Created by admin on Fri Jun 25 22:38:16 UTC 2021 , Edited by admin on Fri Jun 25 22:38:16 UTC 2021
PRIMARY
FDA UNII
4E85SPA42S
Created by admin on Fri Jun 25 22:38:16 UTC 2021 , Edited by admin on Fri Jun 25 22:38:16 UTC 2021
PRIMARY
CAS
1246458-13-8
Created by admin on Fri Jun 25 22:38:16 UTC 2021 , Edited by admin on Fri Jun 25 22:38:16 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE