Fluorometholone acetateProduct ingredient for Fluorometholone

Name

Fluorometholone acetate

Drug Entry

Fluorometholone

A glucocorticoid employed, usually as eye drops, in the treatment of allergic and inflammatory conditions of the eye. It has also been used topically in the treatment of various skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732)

See full entry for Fluorometholone

Accession Number

DBSALT001065

Structure

Similar Structures

Synonyms

Not Available

UNII

9I50C3I3OK

CAS Number

3801-06-7

Weight

Average: 418.505
Monoisotopic: 418.215552261

Chemical Formula

C₂₄H₃₁FO₅

InChI Key

YRFXGQHBPBMFHW-SBTZIJSASA-N

InChI

InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1

IUPAC Name

(1R,2S,8S,10S,11S,14R,15S,17S)-14-acetyl-1-fluoro-17-hydroxy-2,8,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl acetate

SMILES

[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)C[C@]([H])(O)[C@@]1(F)[C@@]2([H])C[C@]([H])(C)C2=CC(=O)C=C[C@]12C

External Links

ChemSpider: 210390
ChEBI: 78354
ChEMBL: CHEMBL1201064
ZINC: ZINC000004213357
Wikipedia: Fluorometholone_acetate

Predicted Properties

Property	Value	Source
Water Solubility	0.00627 mg/mL	ALOGPS
logP	2.76	ALOGPS
logP	2.86	Chemaxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	13.64	Chemaxon
pKa (Strongest Basic)	-3.4	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	4	Chemaxon
Hydrogen Donor Count	1	Chemaxon
Polar Surface Area	80.67 Å²	Chemaxon
Rotatable Bond Count	3	Chemaxon
Refractivity	110.02 m³·mol^-1	Chemaxon
Polarizability	44.16 Å³	Chemaxon
Number of Rings	4	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	Yes	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Fluorometholone acetateProduct ingredient for Fluorometholone

Structure for Fluorometholone acetate (DBSALT001065)