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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H44F2N2O3
Molecular Weight 554.7109
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OMAVELOXOLONE

SMILES

[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]3(C)[C@]2([H])C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@]5([H])CC[C@@]34C)NC(=O)C(C)(F)F

InChI

InChIKey=RJCWBNBKOKFWNY-IDPLTSGASA-N
InChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22-,24-,29-,30+,31+,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H44F2N2O3
Molecular Weight 554.7109
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
G69Z98951Q
Record Status Validated (UNII)
Record Version