chempirical

Rimexolone

C24H34O3CAS 49697-38-3370.53 g/mol

Open in Covalent MOL file
OOOH
AlcoholAlkeneKetone

Properties

Molecular formula
C24H34O3
Molar mass
370.53 g/mol
Exact mass
370.2508 Da
Melting point
258–268 °C
logP
4.50Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
S, R, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
49697-38-3
SMILES
CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChIKey
QTTRZHGPGKRAFB-OOKHYKNYSA-N
InChI
InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17+,18+,19+,21-,22+,23+,24-/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • Androsta-1,4-dien-3-one, 11-hydroxy-16,17-dimethyl-17-(1-oxopropyl)-, (11β,16α,17β)-
  • (11β,16α,17β)-11-Hydroxy-16,17-dimethyl-17-(1-oxopropyl)androsta-1,4-dien-3-one
  • 11β-Hydroxy-16α,17,21-trimethylpregna-1,4-diene-3,20-dione
  • Org 6216
  • 11β-Hydroxy-16α,17α,21-trimethyl-5α-pregna-1,4-diene-3,20-dione
  • Vexol
  • Trimexolone
  • Rimexel

Work with Rimexolone

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

16α-Hydroxyprednisolone13951-70-763 % similar Prednisolone50-24-861 % similar Budesonide51333-22-359 % similar (22R)-Budesonide51372-29-359 % similar Desonide638-94-858 % similar Deprodone20423-99-858 % similar Prednisolone acetate52-21-156 % similar Deflazacort14484-47-055 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook