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 3-HYDROXY-8-METHYLXANTHINE

SMILES

CC1=NC2=C(N1)C(=O)NC(=O)N2O

InChI

InChIKey=RFUAVAOIZVCQHR-UHFFFAOYSA-N
InChI=1S/C6H6N4O3/c1-2-7-3-4(8-2)10(13)6(12)9-5(3)11/h13H,1H3,(H,7,8)(H,9,11,12)

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 Sat Dec 16 12:12:30 GMT 2023
Edited
by admin
on Sat Dec 16 12:12:30 GMT 2023
Record UNII
L65V66PXXM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-8-METHYLXANTHINE
Systematic Name English
3-HYDROXY-8-METHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-3-HYDROXY-8-METHYL-
Systematic Name English
XANTHINE, 3-HYDROXY-8-METHYL-
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3-HYDROXY-8-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
21122774
Created by admin on Sat Dec 16 12:12:30 GMT 2023 , Edited by admin on Sat Dec 16 12:12:30 GMT 2023
PRIMARY
FDA UNII
L65V66PXXM
Created by admin on Sat Dec 16 12:12:30 GMT 2023 , Edited by admin on Sat Dec 16 12:12:30 GMT 2023
PRIMARY
CAS
22888-28-4
Created by admin on Sat Dec 16 12:12:30 GMT 2023 , Edited by admin on Sat Dec 16 12:12:30 GMT 2023
PRIMARY