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Details

Stereochemistry RACEMIC
Molecular Formula C24H29FN2O5
Molecular Weight 444.4959
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ILOPERIDONE METABOLITE P28.2

SMILES

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

InChI

InChIKey=YKHRGZLRWZQSBO-UHFFFAOYSA-N
InChI=1S/C24H29FN2O5/c1-30-23-13-17(20(29)15-28)3-6-21(23)31-12-2-9-27-10-7-16(8-11-27)24-19-5-4-18(25)14-22(19)32-26-24/h3-6,13-14,16,20,28-29H,2,7-12,15H2,1H3

HIDE SMILES / InChI

Molecular Formula C24H29FN2O5
Molecular Weight 444.4959
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
KI5NZ75IZM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ILOPERIDONE METABOLITE P28.2
Common Name English
1-(4-(3-(4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)-1-PIPERIDYL)PROPOXY)-3-METHOXY-PHENYL)ETHANE-1,2-DIOL
Systematic Name English
Related Record Type Details
PARENT -> METABOLITE
This metabolite counted 4.8 % of dose in excreta from all six human subjects following a single oral dose of 3 mg 14C ILO522.
MINOR