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Details

Stereochemistry ABSOLUTE
Molecular Formula C73H78F2O16
Molecular Weight 1249.3876
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUPAMESONE

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(=O)C6=CC7=C(C=CC=C7)C(CC8=C(OC)C(=CC9=C8C=CC=C9)C(=O)OCC(=O)[C@@]%10%11OC(C)(C)O[C@]%10([H])C[C@@]%12([H])[C@]%13([H])CCC%14=CC(=O)C=C[C@]%14(C)[C@@]%13(F)[C@@H](O)C[C@]%11%12C)=C6OC

InChI

InChIKey=BVCDTHYWRLBGTG-YIVOTWLUSA-N
InChI=1S/C73H78F2O16/c1-64(2)88-58-32-52-50-21-19-40-29-42(76)23-25-66(40,5)70(50,74)54(78)34-68(52,7)72(58,90-64)56(80)36-86-62(82)48-27-38-15-11-13-17-44(38)46(60(48)84-9)31-47-45-18-14-12-16-39(45)28-49(61(47)85-10)63(83)87-37-57(81)73-59(89-65(3,4)91-73)33-53-51-22-20-41-30-43(77)24-26-67(41,6)71(51,75)55(79)35-69(53,73)8/h11-18,23-30,50-55,58-59,78-79H,19-22,31-37H2,1-10H3/t50-,51-,52-,53-,54-,55-,58+,59+,66-,67-,68-,69-,70-,71-,72+,73+/m0/s1

HIDE SMILES / InChI

Molecular Formula C73H78F2O16
Molecular Weight 1249.3876
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8Q5FK6P4BC
Record Status Validated (UNII)
Record Version