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Details

Stereochemistry ACHIRAL
Molecular Formula C24H27FN2O5
Molecular Weight 442.48
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ILOPERIDONE METABOLITE P94

SMILES

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

InChI

InChIKey=BGCPETUXPSZMBH-UHFFFAOYSA-N
InChI=1S/C24H27FN2O5/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/h3-6,13-14,16,28H,2,7-12,15H2,1H3

HIDE SMILES / InChI

Molecular Formula C24H27FN2O5
Molecular Weight 442.48
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Oct 21 20:17:51 UTC 2019
Edited
by admin
on Mon Oct 21 20:17:51 UTC 2019
Record UNII
5D8MD4Z5EB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ILOPERIDONE METABOLITE P94
Common Name English
1-(4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)PROPOXY)-3-METHOXYPHENYL)-2-HYDROXYETHANONE
Systematic Name English
ETHANONE, 1-(4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)PROPOXY)-3-METHOXYPHENYL)-2-HYDROXY-
Systematic Name English
Code System Code Type Description
CAS
170170-48-6
Created by admin on Mon Oct 21 20:17:51 UTC 2019 , Edited by admin on Mon Oct 21 20:17:51 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> METABOLITE