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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 3-HYDROXY-9-METHYLXANTHINE

SMILES

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

InChI

InChIKey=QGMKYYVCLPDMLB-UHFFFAOYSA-N
InChI=1S/C6H6N4O3/c1-9-2-7-3-4(11)8-6(12)10(13)5(3)9/h2,13H,1H3,(H,8,11,12)

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

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:05:21 GMT 2025
Edited
by admin
on Mon Mar 31 22:05:21 GMT 2025
Record UNII
0O8AM80QOE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-3-HYDROXY-9-METHYL-
Preferred Name English
3-HYDROXY-9-METHYLXANTHINE
Systematic Name English
3-HYDROXY-9-METHYL-2,3,6,9-TETRAHYDRO-1H-PURINE-2,6-DIONE
Systematic Name English
XANTHINE, 3-HYDROXY-9-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
122706768
Created by admin on Mon Mar 31 22:05:21 GMT 2025 , Edited by admin on Mon Mar 31 22:05:21 GMT 2025
PRIMARY
CAS
30345-24-5
Created by admin on Mon Mar 31 22:05:21 GMT 2025 , Edited by admin on Mon Mar 31 22:05:21 GMT 2025
PRIMARY
FDA UNII
0O8AM80QOE
Created by admin on Mon Mar 31 22:05:21 GMT 2025 , Edited by admin on Mon Mar 31 22:05:21 GMT 2025
PRIMARY