chempirical

Mometasone

C22H28Cl2O4CAS 105102-22-5427.36 g/mol

Open in Covalent MOL file
OClOHHOOCl
AlcoholAlkeneAlkyl halideKetone

Properties

Molecular formula
C22H28Cl2O4
Molar mass
427.36 g/mol
Exact mass
426.1365 Da
logP
3.41Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
R, S, S, S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
105102-22-5
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl
InChIKey
QLIIKPVHVRXHRI-CXSFZGCWSA-N
InChI
InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • Pregna-1,4-diene-3,20-dione, 9,21-dichloro-11,17-dihydroxy-16-methyl-, (11β,16α)-
  • (11β,16α)-9,21-Dichloro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • (+)-Mometasone

Work with Mometasone

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

Beclomethasone4419-39-085 % similar Clobetasol25122-41-279 % similar Betamethasone378-44-966 % similar Dexamethasone50-02-266 % similar Mometasone furoate83919-23-764 % similar Beclomethasone dipropionate5534-09-863 % similar Dexamethasone acetate1177-87-362 % similar Betamethasone acetate987-24-662 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook