TRIAMCINOLONE FURETONIDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII O49NOC9ROC

Structure

InChI Key OSWKQSQWSQSPQH-GNFRAIDCSA-N
Smiles CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)c6oc7ccccc7c6
InChI
InChI=1S/C33H35FO8/c1-29(2)41-27-15-22-21-10-9-19-14-20(35)11-12-30(19,3)32(21,34)25(36)16-31(22,4)33(27,42-29)26(37)17-39-28(38)24-13-18-7-5-6-8-23(18)40-24/h5-8,11-14,21-22,25,27,36H,9-10,15-17H2,1-4H3/t21-,22-,25-,27+,30-,31-,32-,33+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H35F1O8
Molecular Weight 578.23
AlogP 5.03
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 112.27
Heavy Atoms 42.0

Cross References

Resources Reference
CAS NUMBER 4989-94-0
NORMAN SUSDAT
FDA SRS O49NOC9ROC
CONTENTS