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Loteprednol etabonate

CAT: 0607-B2106-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-B2106-5.1Size:10 mM (in 1mL DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
potent glucocorticoid receptor agonist
CAS Number
82034-46-6
Product Name Alternative
chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
Field of Research
Microbiology & Virology Antibiotic
Purity
0.9994
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥16.95 mg/mL in DMSO
Smiles
O[C@@H]1[C@H]([C@@](C)(C=C2)C3=CC2=O)[C@@H](CC3)[C@H](CC4)[C@@](C1)(C)[C@]4(C(OCCl)=O)OC(OCC)=O
Molecular Formula
C24H31ClO7
Molecular Weight
466.95
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Loteprednol Etabonate

Loteprednol etabonate is an 11beta-hydroxy steroid, an organochlorine compound, a steroid ester, a steroid acid ester, an etabonate ester and a 3-oxo-Delta(1),Delta(4)-steroid. It has a role as an anti-inflammatory drug. It is functionally related to a loteprednol.

CAS Number82034-46-6
PubChem CID444025
IUPAC Namechloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
Molecular FormulaC24H31ClO7
Molecular Weight466.9
XLogP3.9
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity882
SMILES
CCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)OCCl
InChI
InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1
InChIKey
DMKSVUSAATWOCU-HROMYWEYSA-N
Chemical Structure
2D Structure
2D structure of Loteprednol Etabonate
CAS: 82034-46-6
CID: 444025
Formula: C24H31ClO7
MW: 466.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.9
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass466.1758310
Monoisotopic Mass466.1758310
Topological Polar Surface Area99.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity882
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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