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Details

Stereochemistry ACHIRAL
Molecular Formula C4H4N2O5.3H2O
Molecular Weight 214.1308
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOXAN TETRAHYDRATE

SMILES

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

InChI

InChIKey=PBPLAJFENFYAFN-UHFFFAOYSA-N
InChI=1S/C4H4N2O5.3H2O/c7-1-4(10,11)2(8)6-3(9)5-1;;;/h10-11H,(H2,5,6,7,8,9);3*1H2

HIDE SMILES / InChI

Molecular Formula C4H4N2O5
Molecular Weight 160.085
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 Sat Dec 16 09:33:02 GMT 2023
Edited
by admin
on Sat Dec 16 09:33:02 GMT 2023
Record UNII
A68ISX72MQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLOXAN TETRAHYDRATE
Systematic Name English
2,4,5,6(1H,3H)-PYRIMIDINETETRONE, HYDRATE (1:4)
Systematic Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5,5-DIHYDROXY-, TRIHYDRATE
Systematic Name English
PYRIMIDINE-2,4,5,6(1H,3H)-TETRONE TETRAHYDRATE
Systematic Name English
ALLOXAN, TETRAHYDRATE
Systematic Name English
BARBITURIC ACID, 5,5-DIHYDROXY-, TRIHYDRATE
Common Name English
MESOXALYLUREA TETRAHYDRATE
Common Name English
2,4,5,6(1H,3H)-PYRIMIDINETETRONE, TETRAHYDRATE
Systematic Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5,5-DIHYDROXY-, HYDRATE (1:3)
Systematic Name English
Code System Code Type Description
FDA UNII
A68ISX72MQ
Created by admin on Sat Dec 16 09:33:02 GMT 2023 , Edited by admin on Sat Dec 16 09:33:02 GMT 2023
PRIMARY
CAS
6010-91-9
Created by admin on Sat Dec 16 09:33:02 GMT 2023 , Edited by admin on Sat Dec 16 09:33:02 GMT 2023
PRIMARY
CAS
5629-46-9
Created by admin on Sat Dec 16 09:33:02 GMT 2023 , Edited by admin on Sat Dec 16 09:33:02 GMT 2023
ALTERNATIVE
EPA CompTox
DTXSID5047241
Created by admin on Sat Dec 16 09:33:02 GMT 2023 , Edited by admin on Sat Dec 16 09:33:02 GMT 2023
PRIMARY
PUBCHEM
71444754
Created by admin on Sat Dec 16 09:33:02 GMT 2023 , Edited by admin on Sat Dec 16 09:33:02 GMT 2023
PRIMARY
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