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Details

Stereochemistry ACHIRAL
Molecular Formula C11H8N4O2
Molecular Weight 228.2068
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-PHENYLXANTHINE

SMILES

O=C1NC2=C(N=C(N2)C3=CC=CC=C3)C(=O)N1

InChI

InChIKey=ACCCXSZCOGNLFL-UHFFFAOYSA-N
InChI=1S/C11H8N4O2/c16-10-7-9(14-11(17)15-10)13-8(12-7)6-4-2-1-3-5-6/h1-5H,(H3,12,13,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula C11H8N4O2
Molecular Weight 228.2068
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 23:44:37 GMT 2025
Edited
by admin
on Mon Mar 31 23:44:37 GMT 2025
Record UNII
0S2BVG6C31
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-PHENYLXANTHINE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-PHENYL-
Preferred Name English
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-8-PHENYL-
Systematic Name English
XANTHINE, 8-PHENYL-
Systematic Name English
Code System Code Type Description
CAS
2879-14-3
Created by admin on Mon Mar 31 23:44:37 GMT 2025 , Edited by admin on Mon Mar 31 23:44:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID50485464
Created by admin on Mon Mar 31 23:44:37 GMT 2025 , Edited by admin on Mon Mar 31 23:44:37 GMT 2025
PRIMARY
FDA UNII
0S2BVG6C31
Created by admin on Mon Mar 31 23:44:37 GMT 2025 , Edited by admin on Mon Mar 31 23:44:37 GMT 2025
PRIMARY
PUBCHEM
12295530
Created by admin on Mon Mar 31 23:44:37 GMT 2025 , Edited by admin on Mon Mar 31 23:44:37 GMT 2025
PRIMARY