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Details

Stereochemistry ACHIRAL
Molecular Formula 2C5H5N5.H2O4S
Molecular Weight 368.332
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADENINE SULFATE

SMILES

OS(O)(=O)=O.NC1=NC=NC2=C1N=CN2.NC3=NC=NC4=C3N=CN4

InChI

InChIKey=LQXHSCOPYJCOMD-UHFFFAOYSA-N
InChI=1S/2C5H5N5.H2O4S/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H5N5
Molecular Weight 135.1267
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 15:09:07 UTC 2023
Edited
by admin
on Fri Dec 15 15:09:07 UTC 2023
Record UNII
741GJF3K9M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADENINE SULFATE
Common Name English
6-AMINOPURINE HEMISULFATE SALT
Common Name English
ADENINE HEMISULFATE SALT
Common Name English
Code System Code Type Description
FDA UNII
741GJF3K9M
Created by admin on Fri Dec 15 15:09:07 UTC 2023 , Edited by admin on Fri Dec 15 15:09:07 UTC 2023
PRIMARY
CAS
321-30-2
Created by admin on Fri Dec 15 15:09:07 UTC 2023 , Edited by admin on Fri Dec 15 15:09:07 UTC 2023
PRIMARY
EPA CompTox
DTXSID50883360
Created by admin on Fri Dec 15 15:09:07 UTC 2023 , Edited by admin on Fri Dec 15 15:09:07 UTC 2023
PRIMARY
ECHA (EC/EINECS)
206-286-5
Created by admin on Fri Dec 15 15:09:07 UTC 2023 , Edited by admin on Fri Dec 15 15:09:07 UTC 2023
PRIMARY
PUBCHEM
9449
Created by admin on Fri Dec 15 15:09:07 UTC 2023 , Edited by admin on Fri Dec 15 15:09:07 UTC 2023
PRIMARY
DRUG BANK
DBSALT002226
Created by admin on Fri Dec 15 15:09:07 UTC 2023 , Edited by admin on Fri Dec 15 15:09:07 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE