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Details

Stereochemistry ACHIRAL
Molecular Formula C15H13FN6O.2ClH
Molecular Weight 385.224
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TANUXICICLIB DIHYDROCHLORIDE

SMILES

Cl.Cl.CC1=CC(=NC(N)=N1)C2=NC(=CC=C2O)C3=CC=NC(N)=C3F

InChI

InChIKey=MDLCXIRCMNRZNA-UHFFFAOYSA-N
InChI=1S/C15H13FN6O.2ClH/c1-7-6-10(22-15(18)20-7)13-11(23)3-2-9(21-13)8-4-5-19-14(17)12(8)16;;/h2-6,23H,1H3,(H2,17,19)(H2,18,20,22);2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H13FN6O
Molecular Weight 312.3017
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

Approval Year

Substance Class Chemical
Record UNII
PHC654VP6N
Record Status Validated (UNII)
Record Version