U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H6N4O2
Molecular Weight 166.1374
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-METHYLXANTHINE

SMILES

CN1C=NC2=C1C(=O)NC(=O)N2

InChI

InChIKey=PFWLFWPASULGAN-UHFFFAOYSA-N
InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)

HIDE SMILES / InChI

Molecular Formula C6H6N4O2
Molecular Weight 166.1374
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 Fri Dec 15 17:48:39 UTC 2023
Edited
by admin
on Fri Dec 15 17:48:39 UTC 2023
Record UNII
E9M81NJM6G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-METHYLXANTHINE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-7-METHYL-
Systematic Name English
NSC-7861
Code English
METHYLXANTHINE, 7-
Systematic Name English
METHYL XANTHINE
INCI  
INCI  
Official Name English
HETEROXANTHINE
Common Name English
7-METHYLXANTHIN
Systematic Name English
METHYL XANTHINE [INCI]
Common Name English
Code System Code Type Description
PUBCHEM
68374
Created by admin on Fri Dec 15 17:48:39 UTC 2023 , Edited by admin on Fri Dec 15 17:48:39 UTC 2023
PRIMARY
FDA UNII
E9M81NJM6G
Created by admin on Fri Dec 15 17:48:39 UTC 2023 , Edited by admin on Fri Dec 15 17:48:39 UTC 2023
PRIMARY
CAS
552-62-5
Created by admin on Fri Dec 15 17:48:39 UTC 2023 , Edited by admin on Fri Dec 15 17:48:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID60203696
Created by admin on Fri Dec 15 17:48:39 UTC 2023 , Edited by admin on Fri Dec 15 17:48:39 UTC 2023
PRIMARY
CHEBI
48991
Created by admin on Fri Dec 15 17:48:39 UTC 2023 , Edited by admin on Fri Dec 15 17:48:39 UTC 2023
PRIMARY
NSC
7861
Created by admin on Fri Dec 15 17:48:39 UTC 2023 , Edited by admin on Fri Dec 15 17:48:39 UTC 2023
PRIMARY
ECHA (EC/EINECS)
209-019-0
Created by admin on Fri Dec 15 17:48:39 UTC 2023 , Edited by admin on Fri Dec 15 17:48:39 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PERCENT OF AMOUNT EXCRETED
MAJOR
PLASMA; URINE