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Details

Stereochemistry ACHIRAL
Molecular Formula C23H25FN2O4
Molecular Weight 412.454
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ILOPERIDONE METABOLITE P89 (P37.4)

SMILES

CC(=O)C1=CC=C(OCCCN2CCC(CC2)C3=NOC4=C3C=CC(F)=C4)C(O)=C1

InChI

InChIKey=JRAOALKNNYGKLE-UHFFFAOYSA-N
InChI=1S/C23H25FN2O4/c1-15(27)17-3-6-21(20(28)13-17)29-12-2-9-26-10-7-16(8-11-26)23-19-5-4-18(24)14-22(19)30-25-23/h3-6,13-14,16,28H,2,7-12H2,1H3

HIDE SMILES / InChI

Molecular Formula C23H25FN2O4
Molecular Weight 412.454
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
DIR26V4TXJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ILOPERIDONE METABOLITE P89 (P37.4)
Common Name English
1-(4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)PROPOXY)-3-HYDROXYPHENYL)ETHANONE
Common Name English
ETHANONE, 1-(4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)PROPOXY)-3-HYDROXYPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
133454-57-6
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
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