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Details

Stereochemistry RACEMIC
Molecular Formula C15H12N2O2.C6H15NO
Molecular Weight 369.4574
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenopyrazone diethylaminoethanol

SMILES

CCN(CC)CCO.O=C1NN(C(=O)C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=SETCIHSBTSYWAY-UHFFFAOYSA-N
InChI=1S/C15H12N2O2.C6H15NO/c18-14-13(11-7-3-1-4-8-11)15(19)17(16-14)12-9-5-2-6-10-12;1-3-7(4-2)5-6-8/h1-10,13H,(H,16,18);8H,3-6H2,1-2H3

HIDE SMILES / InChI
Molecular Formula C6H15NO
Molecular Weight 117.1894
Charge 0
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 C15H12N2O2
Molecular Weight 252.268
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
149,124
Substance Class Chemical
Record UNII
64N8JWN6P2
Record Status Validated (UNII)
Record Version
NIH
NCATS
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