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Details

Stereochemistry RACEMIC
Molecular Formula C24H27FN2O6
Molecular Weight 458.4794
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ILOPERIDONE METABOLITE P26.4

SMILES

COC1=CC(=CC=C1OCCCN2CCC(CC2)C3=NOC4=C3C=CC(F)=C4)C(O)C(O)=O

InChI

InChIKey=FSVAHRLSHAQDOQ-UHFFFAOYSA-N
InChI=1S/C24H27FN2O6/c1-31-21-13-16(23(28)24(29)30)3-6-19(21)32-12-2-9-27-10-7-15(8-11-27)22-18-5-4-17(25)14-20(18)33-26-22/h3-6,13-15,23,28H,2,7-12H2,1H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula C24H27FN2O6
Molecular Weight 458.4794
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Oct 21 20:17:52 UTC 2019
Edited
by admin
on Mon Oct 21 20:17:52 UTC 2019
Record UNII
M3Q1UL4UC5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ILOPERIDONE METABOLITE P26.4
Common Name English
2-(4-(3-(4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)-1-PIPERIDYL)PROPOXY)-3-METHOXY-PHENYL)-2-HYDROXY-ACETIC ACID
Systematic Name English
Related Record Type Details
PARENT -> METABOLITE
This metabolite counted <3.1 % of dose in excreta from all six human subjects following a single oral dose of 3 mg 14C ILO522.
MINOR