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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38FN3O6
Molecular Weight 531.6162
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLOPRISTIN

SMILES

CC(C)[C@H]1OC(=O)[C@H]2CCCN2C(=O)C3=COC(C[C@H](F)C[C@H](O)\C=C(C)\C=C\CNC(=O)\C=C\[C@H]1C)=N3

InChI

InChIKey=DFSJQGCLWZVMOD-IQIMCDJDSA-N
InChI=1S/C28H38FN3O6/c1-17(2)26-19(4)9-10-24(34)30-11-5-7-18(3)13-21(33)14-20(29)15-25-31-22(16-37-25)27(35)32-12-6-8-23(32)28(36)38-26/h5,7,9-10,13,16-17,19-21,23,26,33H,6,8,11-12,14-15H2,1-4H3,(H,30,34)/b7-5+,10-9+,18-13+/t19-,20-,21-,23-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H38FN3O6
Molecular Weight 531.6162
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
OZV2QPB39M
Record Status Validated (UNII)
Record Version