U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C23H25FN2O5
Molecular Weight 428.4543
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)PROPOXY)-3-METHOXYBENZOIC ACID

SMILES

COc1cc(ccc1OCCCN2CCC(CC2)c3c4ccc(cc4on3)F)C(=O)O

InChI

InChIKey=AXUKEZOJOPXXTB-UHFFFAOYSA-N
InChI=1S/C23H25FN2O5/c1-29-21-13-16(23(27)28)3-6-19(21)30-12-2-9-26-10-7-15(8-11-26)22-18-5-4-17(24)14-20(18)31-25-22/h3-6,13-15H,2,7-12H2,1H3,(H,27,28)

HIDE SMILES / InChI

Molecular Formula C23H25FN2O5
Molecular Weight 428.4543
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 16:00:10 UTC 2021
Edited
by admin
on Sat Jun 26 16:00:10 UTC 2021
Record UNII
DV65CD1JA2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)PROPOXY)-3-METHOXYBENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)PROPOXY)-3-METHOXY-
Common Name English
P-95-12113
Common Name English
ILOPERIDONE METABOLITE P95
Common Name English
P 95-12113
Code English
Code System Code Type Description
FDA UNII
DV65CD1JA2
Created by admin on Sat Jun 26 16:00:10 UTC 2021 , Edited by admin on Sat Jun 26 16:00:10 UTC 2021
PRIMARY
EPA CompTox
475110-48-6
Created by admin on Sat Jun 26 16:00:10 UTC 2021 , Edited by admin on Sat Jun 26 16:00:10 UTC 2021
PRIMARY
CAS
475110-48-6
Created by admin on Sat Jun 26 16:00:10 UTC 2021 , Edited by admin on Sat Jun 26 16:00:10 UTC 2021
PRIMARY
PUBCHEM
23786476
Created by admin on Sat Jun 26 16:00:10 UTC 2021 , Edited by admin on Sat Jun 26 16:00:10 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; URINE