Diflucortolone valerate

C₂₇H₃₆F₂O₅CAS 59198-70-8478.58 g/mol

Open in Covalent MOL file

Alcohol Alkene Alkyl halide Ester Ketone

Properties

Molecular formula: C₂₇H₃₆F₂O₅
Molar mass: 478.58 g/mol
Exact mass: 478.2531 Da
logP: 4.47Crippen estimate
Polar surface area: 80.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6
Stereocentres: S, R, S, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number

59198-70-8

SMILES

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

InChIKey

HHJIUUAMYGBVSD-YTFFSALGSA-N

InChI

InChI=1S/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3/t15-,17+,18+,20+,22+,24-,25+,26+,27+/m1/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, 6,9-difluoro-11-hydroxy-16-methyl-21-[(1-oxopentyl)oxy]-, (6α,11β,16α)-
(6α,11β,16α)-6,9-Difluoro-11-hydroxy-16-methyl-21-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione
Nerisona
Temetex
Nerisone
Diflucortolone 21-valerate
Nerisone forte
Neriforte
Texmeten
Travazol

Work with Diflucortolone valerate

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

Diflucortolone2607-06-974 % similar Desoximetasone382-67-257 % similar Epitopic23674-86-453 % similar Halobetasol propionate66852-54-849 % similar Diflorasone diacetate33564-31-748 % similar Fluticasone propionate80474-14-248 % similar Flumethasone pivalate2002-29-148 % similar 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid28416-82-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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