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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H6N4O3
Molecular Weight 182.1368
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-METHYLURIC ACID

SMILES

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

InChI

InChIKey=YHNNPKUFPWLTOP-UHFFFAOYSA-N
InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)

HIDE SMILES / InChI

Molecular Formula C6H6N4O3
Molecular Weight 182.1368
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Use of novel solid-phase extraction sorbent materials for high-performance liquid chromatography quantitation of caffeine metabolism products methylxanthines and methyluric acids in samples of biological origin.
2001 Aug 15
Methylated purines in urinary stones.
2005 Aug
Substance Class Chemical
Created
by admin
on Thu Jul 06 01:45:33 UTC 2023
Edited
by admin
on Thu Jul 06 01:45:33 UTC 2023
Record UNII
0040741VCN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-METHYLURIC ACID
Systematic Name English
7,9-DIHYDRO-7-METHYL-1H-PURINE-2,6,8(3H)-TRIONE
Systematic Name English
URIC ACID, 7-METHYL-
Systematic Name English
N7-METHYLURIC ACID
Systematic Name English
1H-PURINE-2,6,8(3H)-TRIONE, 7,9-DIHYDRO-7-METHYL-
Systematic Name English
7-MU
Common Name English
Code System Code Type Description
CAS
612-37-3
Created by admin on Thu Jul 06 01:45:33 UTC 2023 , Edited by admin on Thu Jul 06 01:45:33 UTC 2023
PRIMARY
EPA CompTox
DTXSID40210106
Created by admin on Thu Jul 06 01:45:33 UTC 2023 , Edited by admin on Thu Jul 06 01:45:33 UTC 2023
PRIMARY
FDA UNII
0040741VCN
Created by admin on Thu Jul 06 01:45:33 UTC 2023 , Edited by admin on Thu Jul 06 01:45:33 UTC 2023
PRIMARY
ECHA (EC/EINECS)
210-307-3
Created by admin on Thu Jul 06 01:45:33 UTC 2023 , Edited by admin on Thu Jul 06 01:45:33 UTC 2023
PRIMARY
PUBCHEM
69160
Created by admin on Thu Jul 06 01:45:33 UTC 2023 , Edited by admin on Thu Jul 06 01:45:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
AMOUNT EXCRETED
MAJOR
PLASMA; URINE