3,9-Dimethylxanthine

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H8N4O2
Molecular Weight	180.164
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,9-Dimethylxanthine

Structure Search

SMILES

CN1C=NC2=C1N(C)C(=O)NC2=O

InChI

InChIKey=HEOWZFHIJSYJIC-UHFFFAOYSA-N

InChI=1S/C7H8N4O2/c1-10-3-8-4-5(12)9-7(13)11(2)6(4)10/h3H,1-2H3,(H,9,12,13)

HIDE SMILES / InChI

Molecular Formula	C7H8N4O2
Molecular Weight	180.164
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 19:11:44 GMT 2025` Edited by `admin` on `Tue Apr 01 19:11:44 GMT 2025`
Record UNII	J8CU65N7UW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,9-Dimethylxanthine

Systematic Name

English

3,9-Dihydro-3,9-dimethyl-1H-purine-2,6-dione

Preferred Name

English

1H-Purine-2,6-dione, 3,9-dihydro-3,9-dimethyl-

Systematic Name

English

Dimethylxanthine, 3,9-

Systematic Name

English

Xanthine, 3,9-dimethyl-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

239-942-4

Created by admin on Tue Apr 01 19:11:44 GMT 2025 , Edited by admin on Tue Apr 01 19:11:44 GMT 2025

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CAS

15837-08-8

Created by admin on Tue Apr 01 19:11:44 GMT 2025 , Edited by admin on Tue Apr 01 19:11:44 GMT 2025

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FDA UNII

J8CU65N7UW

Created by admin on Tue Apr 01 19:11:44 GMT 2025 , Edited by admin on Tue Apr 01 19:11:44 GMT 2025

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EPA CompTox

DTXSID20166410

Created by admin on Tue Apr 01 19:11:44 GMT 2025 , Edited by admin on Tue Apr 01 19:11:44 GMT 2025

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PUBCHEM

85135

Created by admin on Tue Apr 01 19:11:44 GMT 2025 , Edited by admin on Tue Apr 01 19:11:44 GMT 2025

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