Halobetasol propionate

C₂₅H₃₁ClF₂O₅CAS 66852-54-8484.96 g/mol

Open in Covalent MOL file

Alcohol Alkene Alkyl halide Ester Ketone

Properties

Molecular formula: C₂₅H₃₁ClF₂O₅
Molar mass: 484.96 g/mol
Exact mass: 484.1828 Da
Melting point: 220–221 °C
logP: 4.05Crippen estimate
Polar surface area: 80.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4
Stereocentres: R, S, S, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number

66852-54-8

SMILES

CCC(=O)O[C@]1(C(=O)CCl)[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

BDSYKGHYMJNPAB-LICBFIPMSA-N

InChI

InChI=1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15-,16-,18-,19-,22-,23-,24-,25-/m0/s1

Weigh it out

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

Names and synonyms

7 names

Pregna-1,4-diene-3,20-dione, 21-chloro-6,9-difluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-, (6α,11β,16β)-
(6α,11β,16β)-21-Chloro-6,9-difluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione
BMY 30056
CGP 14458
Ultravate
Miracorten
Ulobetasol propionate

Work with Halobetasol propionate

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

Fluticasone propionate80474-14-278 % similar Clobetasol propionate25122-46-778 % similar Diflorasone diacetate33564-31-771 % similar Betamethasone dipropionate5593-20-465 % similar Flumetasone2135-17-364 % similar Diflorasone2557-49-564 % similar Betamethasone valerate2152-44-562 % similar 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid28416-82-261 % similar

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

Elsewhere

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