8-Chloroxanthine

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H3ClN4O2
Molecular Weight	186.556
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-Chloroxanthine

Structure Search

SMILES

ClC1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChIKey=OZPCWWUKRLUQSS-UHFFFAOYSA-N

InChI=1S/C5H3ClN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)

HIDE SMILES / InChI

Molecular Formula	C5H3ClN4O2
Molecular Weight	186.556
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 `Tue Apr 01 20:27:17 GMT 2025` Edited by `admin` on `Tue Apr 01 20:27:17 GMT 2025`
Record UNII	R4A285B7AC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-45762

Preferred Name

English

8-Chloroxanthine

Systematic Name

English

8-Chloro-3,9-dihydro-1H-purine-2,6-dione

Systematic Name

English

1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-

Systematic Name

English

1H-Purine-2,6-dione, 8-chloro-3,9-dihydro-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00929020

Created by admin on Tue Apr 01 20:27:17 GMT 2025 , Edited by admin on Tue Apr 01 20:27:17 GMT 2025

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PUBCHEM

26103

Created by admin on Tue Apr 01 20:27:17 GMT 2025 , Edited by admin on Tue Apr 01 20:27:17 GMT 2025

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CAS

13548-68-0

Created by admin on Tue Apr 01 20:27:17 GMT 2025 , Edited by admin on Tue Apr 01 20:27:17 GMT 2025

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NSC

45762

Created by admin on Tue Apr 01 20:27:17 GMT 2025 , Edited by admin on Tue Apr 01 20:27:17 GMT 2025

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FDA UNII

R4A285B7AC

Created by admin on Tue Apr 01 20:27:17 GMT 2025 , Edited by admin on Tue Apr 01 20:27:17 GMT 2025

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