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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11N7O.H2O4S
Molecular Weight 379.351
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AVOTACICLIB SULFATE

SMILES

OS(O)(=O)=O.NC1=NC=CC(=N1)C2=NC(=C(O)C=C2)C3=NC(N)=NC=C3

InChI

InChIKey=SOYPPDFOEBVLDG-UHFFFAOYSA-N
InChI=1S/C13H11N7O.H2O4S/c14-12-16-5-3-8(19-12)7-1-2-10(21)11(18-7)9-4-6-17-13(15)20-9;1-5(2,3)4/h1-6,21H,(H2,14,16,19)(H2,15,17,20);(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 C13H11N7O
Molecular Weight 281.2727
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 16:05:35 GMT 2023
Edited
by admin
on Sat Dec 16 16:05:35 GMT 2023
Record UNII
0M760UF9EV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AVOTACICLIB SULFATE
INN  
Common Name English
3-PYRIDINOL, 2,6-BIS(2-AMINO-4-PYRIMIDINYL)-, SULFATE (1:1)
Systematic Name English
2,6-BIS(2-AMINOPYRIMIDIN-4-YL)PYRIDIN-3-OL SULFATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
137308241
Created by admin on Sat Dec 16 16:05:35 GMT 2023 , Edited by admin on Sat Dec 16 16:05:35 GMT 2023
PRIMARY
CAS
1983984-04-8
Created by admin on Sat Dec 16 16:05:35 GMT 2023 , Edited by admin on Sat Dec 16 16:05:35 GMT 2023
PRIMARY
FDA UNII
0M760UF9EV
Created by admin on Sat Dec 16 16:05:35 GMT 2023 , Edited by admin on Sat Dec 16 16:05:35 GMT 2023
PRIMARY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY