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Details

Stereochemistry ACHIRAL
Molecular Formula C26H24N6O2.C3H3F3O2
Molecular Weight 580.5577
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BELUMOSUDIL TRIFLUOROACETATE

SMILES

OC(=O)CC(F)(F)F.CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=C(C=CC=C3)C(NC4=CC=C5NN=CC5=C4)=N2

InChI

InChIKey=PBWWPJDQYJXRII-UHFFFAOYSA-N
InChI=1S/C26H24N6O2.C3H3F3O2/c1-16(2)28-24(33)15-34-20-7-5-6-17(13-20)25-30-23-9-4-3-8-21(23)26(31-25)29-19-10-11-22-18(12-19)14-27-32-22;4-3(5,6)1-2(7)8/h3-14,16H,15H2,1-2H3,(H,27,32)(H,28,33)(H,29,30,31);1H2,(H,7,8)

HIDE SMILES / InChI

Molecular Formula C3H3F3O2
Molecular Weight 128.0499
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 C26H24N6O2
Molecular Weight 452.5078
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
LL4OG4RZ5D
Record Status Validated (UNII)
Record Version