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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7N6O.Na
Molecular Weight 226.1705
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TA-5707

SMILES

[Na+].CC1=CC=CC(=N1)C(=O)NC2=NN=N[N-]2

InChI

InChIKey=RYUBOCZNGCDGOU-UHFFFAOYSA-M
InChI=1S/C8H8N6O.Na/c1-5-3-2-4-6(9-5)7(15)10-8-11-13-14-12-8;/h2-4H,1H3,(H2,9,10,11,12,13,14,15);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H7N6O
Molecular Weight 203.1808
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
D7L2J8KXP4
Record Status Validated (UNII)
Record Version