TRALONIDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 38ETX8IT42

Structure

InChI Key OGZHZYVCWDUIJV-MQVDQZQZSA-N
Smiles CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)[C@@]4(Cl)[C@@H](Cl)CC3(C)[C@@]2(O1)C(=O)CF
InChI
InChI=1S/C24H28Cl2F2O4/c1-20(2)31-19-9-13-14-8-16(28)15-7-12(29)5-6-21(15,3)23(14,26)17(25)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19H,8-11H2,1-4H3/t13?,14?,16-,17-,19+,21?,22?,23-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28Cl2F2O4
Molecular Weight 488.13
AlogP 4.86
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 52.6
Heavy Atoms 32.0

Cross References

Resources Reference
CAS NUMBER 21365-49-1
NORMAN SUSDAT
FDA SRS 38ETX8IT42
CONTENTS