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Triamcinolone furetonide

CAT: 0926-EAA98994-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-EAA98994-01Size:50 mg
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CAS Number
4989-94-0
Smiles
CC1 (OC2CC3C4CCC5=CC (=O) C=CC5 (C4 (C (CC3 (C2 (O1) C (=O) COC (=O) C6=CC7=CC=CC=C7O6) C) O) F) C) C
Molecular Formula
C33H35FO8
Molecular Weight
578.6 g/mol
Controlled
No

Chemical Information

Triamcinolone Furetonide

Triamcinolone furetonide is a small molecule drug. Triamcinolone furetonide has a monoisotopic molecular weight of 578.23 Da.

CAS Number4989-94-0
PubChem CID62964
IUPAC Name[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 1-benzofuran-2-carboxylate
Molecular FormulaC33H35FO8
Molecular Weight578.6
XLogP5.5
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count42
Formal Charge0
Complexity1270
SMILES
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)C5=CC6=CC=CC=C6O5)CCC7=CC(=O)C=C[C@@]73C)F)O
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
InChIKey
OSWKQSQWSQSPQH-GNFRAIDCSA-N
Chemical Structure
2D Structure
2D structure of Triamcinolone Furetonide
CAS: 4989-94-0
CID: 62964
Formula: C33H35FO8
MW: 578.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight578.6
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass578.23159623
Monoisotopic Mass578.23159623
Topological Polar Surface Area112 Ų
Heavy Atom Count42
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes