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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N4O3
Molecular Weight 196.1634
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,7-DIMETHYLURIC ACID

SMILES

CN1C(=O)NC2=C1C(=O)NC(=O)N2C

InChI

InChIKey=HMLZLHKHNBLLJD-UHFFFAOYSA-N
InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)

HIDE SMILES / InChI

Molecular Formula C7H8N4O3
Molecular Weight 196.1634
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Inhibitory effects of caffeine and its metabolites on intracellular lipid accumulation in murine 3T3-L1 adipocytes.
2008
Urinary recovery of caffeine and its metabolites in healthy African children.
2003-09-27
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:54:56 GMT 2025
Edited
by admin
on Mon Mar 31 20:54:56 GMT 2025
Record UNII
LR195N9E9A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,7-DIMETHYLURIC ACID
Systematic Name English
OXYTHEOBROMINE
Preferred Name English
8-HYDROXYTHEOBROMINE
Systematic Name English
1H-PURINE-2,6,8(3H)-TRIONE, 7,9-DIHYDRO-3,7-DIMETHYL-
Systematic Name English
URIC ACID, 3,7-DIMETHYL-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10156769
Created by admin on Mon Mar 31 20:54:56 GMT 2025 , Edited by admin on Mon Mar 31 20:54:56 GMT 2025
PRIMARY
PUBCHEM
83126
Created by admin on Mon Mar 31 20:54:56 GMT 2025 , Edited by admin on Mon Mar 31 20:54:56 GMT 2025
PRIMARY
CAS
13087-49-5
Created by admin on Mon Mar 31 20:54:56 GMT 2025 , Edited by admin on Mon Mar 31 20:54:56 GMT 2025
PRIMARY
FDA UNII
LR195N9E9A
Created by admin on Mon Mar 31 20:54:56 GMT 2025 , Edited by admin on Mon Mar 31 20:54:56 GMT 2025
PRIMARY