2-HYDROXYETHYL 2-(1,3-DIMETHYL-2,6-DIOXOPURIN-7-YL)ACETATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14N4O5
Molecular Weight	282.2527
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-HYDROXYETHYL 2-(1,3-DIMETHYL-2,6-DIOXOPURIN-7-YL)ACETATE

Structure Search

SMILES

CN1C2=C(N(CC(=O)OCCO)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=BSHFGYOWIYPMDN-UHFFFAOYSA-N

InChI=1S/C11H14N4O5/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-7(17)20-4-3-16/h6,16H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C11H14N4O5
Molecular Weight	282.2527
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 `Wed Apr 02 05:22:15 GMT 2025` Edited by `admin` on `Wed Apr 02 05:22:15 GMT 2025`
Record UNII	WLS3PT4QNB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-HYDROXYETHYL 2-(1,3-DIMETHYL-2,6-DIOXOPURIN-7-YL)ACETATE

Common Name

English

DOXOPHYLLINE METABOLITE M5

Preferred Name

English

7H-PURINE-7-ACETIC ACID, 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-, 2-HYDROXYETHYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

11778508

Created by admin on Wed Apr 02 05:22:15 GMT 2025 , Edited by admin on Wed Apr 02 05:22:15 GMT 2025

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CAS

61379-38-2

Created by admin on Wed Apr 02 05:22:15 GMT 2025 , Edited by admin on Wed Apr 02 05:22:15 GMT 2025

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ECHA (EC/EINECS)

262-741-8

Created by admin on Wed Apr 02 05:22:15 GMT 2025 , Edited by admin on Wed Apr 02 05:22:15 GMT 2025

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EPA CompTox

DTXSID40976912

Created by admin on Wed Apr 02 05:22:15 GMT 2025 , Edited by admin on Wed Apr 02 05:22:15 GMT 2025

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FDA UNII

WLS3PT4QNB

Created by admin on Wed Apr 02 05:22:15 GMT 2025 , Edited by admin on Wed Apr 02 05:22:15 GMT 2025

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Related Record Type Details


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