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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23F3N6O
Molecular Weight 431.4429
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VOFOPITANT C-11

SMILES

[11CH3]OC1=CC=C(C=C1CN[C@H]2CCCN[C@H]2C3=CC=CC=C3)N4N=NN=C4C(F)(F)F

InChI

InChIKey=XILNRORTJVDYRH-GQNWDAJUSA-N
InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1/i1-1

HIDE SMILES / InChI

Molecular Formula C21H23F3N6O
Molecular Weight 431.4429
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
XWN7G45JKF
Record Status Validated (UNII)
Record Version