2-(4-(3-(4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)-1-PIPERIDYL)PROPOXY)-3-METHOXY-PHENYL)-2-HYDROXY-ACETIC ACID

Details

Stereochemistry	RACEMIC
Molecular Formula	C24H27FN2O6
Molecular Weight	458.4794
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(4-(3-(4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)-1-PIPERIDYL)PROPOXY)-3-METHOXY-PHENYL)-2-HYDROXY-ACETIC ACID

Structure Search

SMILES

COC1=CC(=CC=C1OCCCN2CCC(CC2)C3=NOC4=CC(F)=CC=C34)C(O)C(O)=O

InChI

InChIKey=FSVAHRLSHAQDOQ-UHFFFAOYSA-N

InChI=1S/C24H27FN2O6/c1-31-21-13-16(23(28)24(29)30)3-6-19(21)32-12-2-9-27-10-7-15(8-11-27)22-18-5-4-17(25)14-20(18)33-26-22/h3-6,13-15,23,28H,2,7-12H2,1H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C24H27FN2O6
Molecular Weight	458.4794
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 15:00:26 UTC 2023` Edited by `admin` on `Sat Dec 16 15:00:26 UTC 2023`
Record UNII	M3Q1UL4UC5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(4-(3-(4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)-1-PIPERIDYL)PROPOXY)-3-METHOXY-PHENYL)-2-HYDROXY-ACETIC ACID

Systematic Name

English

ILOPERIDONE METABOLITE P26.4

Common Name

English

Code System Code Type Description

FDA UNII

M3Q1UL4UC5

Created by admin on Sat Dec 16 15:00:27 UTC 2023 , Edited by admin on Sat Dec 16 15:00:27 UTC 2023

PRIMARY

PUBCHEM

165411997

Created by admin on Sat Dec 16 15:00:27 UTC 2023 , Edited by admin on Sat Dec 16 15:00:27 UTC 2023

PRIMARY

Related Record Type Details


					VPO7KJ050N

ILOPERIDONE

PARENT -> METABOLITE

Comments:

This metabolite counted <3.1 % of dose in excreta from all six human subjects following a single oral dose of 3 mg 14C ILO522.

Interaction Type:

MINOR