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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H31F9N4O5
Molecular Weight 722.598
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OBICETRAPIB

SMILES

CCOC(=O)N1[C@H](CC)C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=NC=C(OCCCC(O)=O)C=N3)C4=C1C=CC(=C4)C(F)(F)F

InChI

InChIKey=NRWORBQAOQVYBJ-GJZUVCINSA-N
InChI=1S/C32H31F9N4O5/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47)/t22-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H31F9N4O5
Molecular Weight 722.598
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
8O74K609HN
Record Status Validated (UNII)
Record Version