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Flucloronide

CAT: 0931-T25426-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25426-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3693-39-8
Target
Glucocorticoid Receptor, Others
Related Pathways
Endocrinology/Hormones, Others
Bioactivity
Flucloronide is a corticosteroid for topical use on the skin. It has anti-inflammatory properties.
Smiles
[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO |c:14,t:10|
Molecular Formula
C24H29Cl2FO5
Molecular Weight
487.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Flucloronide

Fluclorolone acetonide is a 21-hydroxy steroid.

CAS Number3693-39-8
PubChem CID20054914
IUPAC Name(1S,2S,4R,8S,9S,11S,12R,13S,19S)-11,12-dichloro-19-fluoro-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Molecular FormulaC24H29Cl2FO5
Molecular Weight487.4
XLogP4
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity964
SMILES
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)Cl)Cl
InChI
InChI=1S/C24H29Cl2FO5/c1-20(2)31-19-9-13-14-8-16(27)15-7-12(29)5-6-21(15,3)23(14,26)17(25)10-22(13,4)24(19,32-20)18(30)11-28/h5-7,13-14,16-17,19,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
NJNWEGFJCGYWQT-VSXGLTOVSA-N
Chemical Structure
2D Structure
2D structure of Flucloronide
CAS: 3693-39-8
CID: 20054914
Formula: C24H29Cl2FO5
MW: 487.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight487.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass486.1376076
Monoisotopic Mass486.1376076
Topological Polar Surface Area72.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity964
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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