LEO-39652 open ring metabolite

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H25N3O6
Molecular Weight	439.4611
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LEO-39652 open ring metabolite

Structure Search

SMILES

COC1=CC=C(N2N=C(N=C12)C3(CC3)C(=O)OCC(C)C)C4=CC(CO)=C(C=C4)C(O)=O

InChI

InChIKey=CZZHZWDQSHKCEM-UHFFFAOYSA-N

InChI=1S/C23H25N3O6/c1-13(2)12-32-22(30)23(8-9-23)21-24-19-18(31-3)7-6-17(26(19)25-21)14-4-5-16(20(28)29)15(10-14)11-27/h4-7,10,13,27H,8-9,11-12H2,1-3H3,(H,28,29)

HIDE SMILES / InChI

Molecular Formula	C23H25N3O6
Molecular Weight	439.4611
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:11:47 GMT 2023` Edited by `admin` on `Sat Dec 16 20:11:47 GMT 2023`
Record UNII	AT5ZB25DHJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LEO-39652 open ring metabolite

Common Name

English

2-(Hydroxymethyl)-4-[8-methoxy-2-[1-[(2-methylpropoxy)carbonyl]cyclopropyl][1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid

Systematic Name

English

Benzoic acid, 2-(hydroxymethyl)-4-[8-methoxy-2-[1-[(2-methylpropoxy)carbonyl]cyclopropyl][1,2,4]triazolo[1,5-a]pyridin-5-yl]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

162651718

Created by admin on Sat Dec 16 20:11:47 GMT 2023 , Edited by admin on Sat Dec 16 20:11:47 GMT 2023

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FDA UNII

AT5ZB25DHJ

Created by admin on Sat Dec 16 20:11:47 GMT 2023 , Edited by admin on Sat Dec 16 20:11:47 GMT 2023

PRIMARY

CAS

2645422-26-8

Created by admin on Sat Dec 16 20:11:47 GMT 2023 , Edited by admin on Sat Dec 16 20:11:47 GMT 2023

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