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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6N4O8.2H2O
Molecular Weight 322.1858
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOXANTIN DIHYDRATE

SMILES

O.O.OC1(C(=O)NC(=O)NC1=O)C2(O)C(=O)NC(=O)NC2=O

InChI

InChIKey=BFMIJRCCNVNSBS-UHFFFAOYSA-N
InChI=1S/C8H6N4O8.2H2O/c13-1-7(19,2(14)10-5(17)9-1)8(20)3(15)11-6(18)12-4(8)16;;/h19-20H,(H2,9,10,13,14,17)(H2,11,12,15,16,18);2*1H2

HIDE SMILES / InChI

Molecular Formula C8H6N4O8
Molecular Weight 286.1552
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

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:50:39 GMT 2023
Edited
by admin
on Sat Dec 16 07:50:39 GMT 2023
Record UNII
509ZC7GCQE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLOXANTIN DIHYDRATE
MI  
Common Name English
5,5'-BIBARBITURIC ACID, 5,5'-DIHYDROXY-, DIHYDRATE
Common Name English
ALLOXANTIN DIHYDRATE [MI]
Common Name English
5,5'-DIHYDROXY-(5,5'-BIPYRIMIDINE)-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-HEXONE DIHYDRATE
Systematic Name English
(5,5'-BIPYRIMIDINE)-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-HEXONE, 5,5'-DIHYDROXY-, DIHYDRATE
Systematic Name English
Code System Code Type Description
CAS
6011-27-4
Created by admin on Sat Dec 16 07:50:39 GMT 2023 , Edited by admin on Sat Dec 16 07:50:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID50208857
Created by admin on Sat Dec 16 07:50:39 GMT 2023 , Edited by admin on Sat Dec 16 07:50:39 GMT 2023
PRIMARY
FDA UNII
509ZC7GCQE
Created by admin on Sat Dec 16 07:50:39 GMT 2023 , Edited by admin on Sat Dec 16 07:50:39 GMT 2023
PRIMARY
PUBCHEM
517542
Created by admin on Sat Dec 16 07:50:39 GMT 2023 , Edited by admin on Sat Dec 16 07:50:39 GMT 2023
PRIMARY
MERCK INDEX
m1544
Created by admin on Sat Dec 16 07:50:39 GMT 2023 , Edited by admin on Sat Dec 16 07:50:39 GMT 2023
PRIMARY Merck Index
Related Record Type Details
ANHYDROUS->SOLVATE