1,9-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 1,9-DIMETHYLXANTHINE

Structure Search

SMILES

CN1C=NC2=C1NC(=O)N(C)C2=O

InChI

InChIKey=XKZALMBJTMJPFU-UHFFFAOYSA-N

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

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 `Mon Mar 31 18:52:28 GMT 2025` Edited by `admin` on `Mon Mar 31 18:52:28 GMT 2025`
Record UNII	6AG30927DU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,9-DIMETHYL-

Preferred Name

English

1,9-DIMETHYLXANTHINE

Systematic Name

English

3,9-DIHYDRO-1,9-DIMETHYL-1H-PURINE-2,6-DIONE

Systematic Name

English

XANTHINE, 1,9-DIMETHYL-

Systematic Name

English

Code System Code Type Description

CAS

33073-01-7

Created by admin on Mon Mar 31 18:52:28 GMT 2025 , Edited by admin on Mon Mar 31 18:52:28 GMT 2025

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ECHA (EC/EINECS)

251-367-0

Created by admin on Mon Mar 31 18:52:28 GMT 2025 , Edited by admin on Mon Mar 31 18:52:28 GMT 2025

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FDA UNII

6AG30927DU

Created by admin on Mon Mar 31 18:52:28 GMT 2025 , Edited by admin on Mon Mar 31 18:52:28 GMT 2025

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PUBCHEM

118395

Created by admin on Mon Mar 31 18:52:28 GMT 2025 , Edited by admin on Mon Mar 31 18:52:28 GMT 2025

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EPA CompTox

DTXSID10186723

Created by admin on Mon Mar 31 18:52:28 GMT 2025 , Edited by admin on Mon Mar 31 18:52:28 GMT 2025

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MESH

C009749

Created by admin on Mon Mar 31 18:52:28 GMT 2025 , Edited by admin on Mon Mar 31 18:52:28 GMT 2025

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