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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 1-(4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)PROPOXY)-3-HYDROXYPHENYL)ETHANONE

SMILES

CC(=O)C1=CC=C(OCCCN2CCC(CC2)C3=NOC4=CC(F)=CC=C34)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

Approval Year

Unknown
139594
Name Type Language
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
ILOPERIDONE METABOLITE P89 (P37.4)
Common Name English
Code System Code Type Description
FDA UNII
DIR26V4TXJ
Created by admin on Sat Dec 16 14:59:03 GMT 2023 , Edited by admin on Sat Dec 16 14:59:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID601120718
Created by admin on Sat Dec 16 14:59:03 GMT 2023 , Edited by admin on Sat Dec 16 14:59:03 GMT 2023
PRIMARY
PUBCHEM
11742411
Created by admin on Sat Dec 16 14:59:03 GMT 2023 , Edited by admin on Sat Dec 16 14:59:03 GMT 2023
PRIMARY
CAS
133454-57-6
Created by admin on Sat Dec 16 14:59:03 GMT 2023 , Edited by admin on Sat Dec 16 14:59:03 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of ILOPERIDONE
NIH
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