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Details

Stereochemistry RACEMIC
Molecular Formula C14H10N4O6
Molecular Weight 330.2524
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-HYDROXY-DANTROLENE

SMILES

OC1N(\N=C\C2=CC=C(O2)C3=CC=C(C=C3)[N+]([O-])=O)C(=O)NC1=O

InChI

InChIKey=PGORTQZSSAZLCK-VIZOYTHASA-N
InChI=1S/C14H10N4O6/c19-12-13(20)17(14(21)16-12)15-7-10-5-6-11(24-10)8-1-3-9(4-2-8)18(22)23/h1-7,13,20H,(H,16,19,21)/b15-7+

HIDE SMILES / InChI

Molecular Formula C14H10N4O6
Molecular Weight 330.2524
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
Y9S8199RFW
Record Status Validated (UNII)
Record Version