2-(((1S)-1-(4-HYDROXYPHENYL)ETHYL)-(4-METHOXYPHENOXY)CARBONYL-AMINO)ACETIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H19NO6
Molecular Weight	345.3466
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(((1S)-1-(4-HYDROXYPHENYL)ETHYL)-(4-METHOXYPHENOXY)CARBONYL-AMINO)ACETIC ACID

Structure Search

SMILES

COC1=CC=C(OC(=O)N(CC(O)=O)[C@@H](C)C2=CC=C(O)C=C2)C=C1

InChI

InChIKey=WKOXKGXKUUIDDE-LBPRGKRZSA-N

InChI=1S/C18H19NO6/c1-12(13-3-5-14(20)6-4-13)19(11-17(21)22)18(23)25-16-9-7-15(24-2)8-10-16/h3-10,12,20H,11H2,1-2H3,(H,21,22)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H19NO6
Molecular Weight	345.3466
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:53:57 GMT 2025` Edited by `admin` on `Wed Apr 02 07:53:57 GMT 2025`
Record UNII	8ATU0RB2V4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(((1S)-1-(4-HYDROXYPHENYL)ETHYL)-(4-METHOXYPHENOXY)CARBONYL-AMINO)ACETIC ACID

Systematic Name

English

PELIGLITAZAR METABOLITE M3

Preferred Name

English

Code System Code Type Description

PUBCHEM

118753086

Created by admin on Wed Apr 02 07:53:57 GMT 2025 , Edited by admin on Wed Apr 02 07:53:57 GMT 2025

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FDA UNII

8ATU0RB2V4

Created by admin on Wed Apr 02 07:53:57 GMT 2025 , Edited by admin on Wed Apr 02 07:53:57 GMT 2025

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Related Record Type Details


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PELIGLITAZAR

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Interaction Type:

MINOR

Qualification:

PLASMA; URINE


					D26ZN076H1

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PARENT -> METABOLITE

Comments:

4.38% of dose in group 1 and 1.79% of the dose in group 2

Interaction Type:

MAJOR

Qualification:

FECAL

Amount: