Fluorometholone acetate

C₂₄H₃₁FO₅CAS 3801-06-7418.51 g/mol

Open in Covalent MOL file

Alcohol Alkene Alkyl halide Ester Ketone

Properties

Molecular formula: C₂₄H₃₁FO₅
Molar mass: 418.51 g/mol
Exact mass: 418.2156 Da
Melting point: 292–303 °C
logP: 3.49Crippen estimate
Polar surface area: 80.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2
Stereocentres: R, S, S, S, S, R, S, Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H360D May damage the unborn child25% of notifiers
H361 Suspected of damaging fertility or the unborn child75% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3801-06-7

SMILES

CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

InChIKey

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-6-methyl-, (6α,11β)-
Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17-dihydroxy-6α-methyl-, 17-acetate
(6α,11β)-17-(Acetyloxy)-9-fluoro-11-hydroxy-6-methylpregna-1,4-diene-3,20-dione
U 17323
6α-Methyl-9α-fluoro-17-acetoxy-21-deoxyprednisolone
Oxylone acetate
6α-Methyl-9α-fluoro-21-desoxyprednisolone-17-acetate
Flarex
NSC 47438
Eflone

Work with Fluorometholone acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fluorometholone426-13-176 % similar Epitopic23674-86-458 % similar Fluorogestone acetate2529-45-554 % similar Diflorasone diacetate33564-31-754 % similar (6Alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione806-29-154 % similar Isoflupredone acetate338-98-752 % similar Fluocinonide356-12-748 % similar Dexamethasone acetate1177-87-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook