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Details

Stereochemistry ACHIRAL
Molecular Formula C4H3N5O2.H2O
Molecular Weight 171.1142
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-AZAXANTHINE MONOHYDRATE

SMILES

O.O=C1NC2=C(N=NN2)C(=O)N1

InChI

InChIKey=VKEGPGRANAWNIN-UHFFFAOYSA-N
InChI=1S/C4H3N5O2.H2O/c10-3-1-2(8-9-7-1)5-4(11)6-3;/h(H3,5,6,7,8,9,10,11);1H2

HIDE SMILES / InChI

Molecular Formula C4H3N5O2
Molecular Weight 153.0989
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
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 Fri Dec 15 15:59:30 GMT 2023
Edited
by admin
on Fri Dec 15 15:59:30 GMT 2023
Record UNII
9JAZ5K85DG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-AZAXANTHINE MONOHYDRATE
Common Name English
3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDINE-5,7(4H,6H)-DIONE, HYDRATE (1:1)
Systematic Name English
XANTHAZOL MONOHYDRATE
Common Name English
Code System Code Type Description
CAS
59840-67-4
Created by admin on Fri Dec 15 15:59:30 GMT 2023 , Edited by admin on Fri Dec 15 15:59:30 GMT 2023
PRIMARY
FDA UNII
9JAZ5K85DG
Created by admin on Fri Dec 15 15:59:30 GMT 2023 , Edited by admin on Fri Dec 15 15:59:30 GMT 2023
PRIMARY
PUBCHEM
135472944
Created by admin on Fri Dec 15 15:59:30 GMT 2023 , Edited by admin on Fri Dec 15 15:59:30 GMT 2023
PRIMARY
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