1-(4-(3-(4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)-1-PIPERIDYL)PROPOXY)-3-METHOXY-PHENYL)ETHANE-1,2-DIOL

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 1-(4-(3-(4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)-1-PIPERIDYL)PROPOXY)-3-METHOXY-PHENYL)ETHANE-1,2-DIOL

Structure Search

SMILES

COC1=CC(=CC=C1OCCCN2CCC(CC2)C3=NOC4=CC(F)=CC=C34)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	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:59:02 UTC 2023` Edited by `admin` on `Sat Dec 16 14:59:02 UTC 2023`
Record UNII	KI5NZ75IZM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-(4-(3-(4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)-1-PIPERIDYL)PROPOXY)-3-METHOXY-PHENYL)ETHANE-1,2-DIOL

Systematic Name

English

ILOPERIDONE METABOLITE P28.2

Common Name

English

Code System Code Type Description

PUBCHEM

165411995

Created by admin on Sat Dec 16 14:59:02 UTC 2023 , Edited by admin on Sat Dec 16 14:59:02 UTC 2023

PRIMARY

FDA UNII

KI5NZ75IZM

Created by admin on Sat Dec 16 14:59:02 UTC 2023 , Edited by admin on Sat Dec 16 14:59:02 UTC 2023

PRIMARY

Related Record Type Details


					VPO7KJ050N

ILOPERIDONE

PARENT -> METABOLITE

Comments:

This metabolite counted 4.8 % of dose in excreta from all six human subjects following a single oral dose of 3 mg 14C ILO522.

Interaction Type:

MINOR