chempirical

Loteprednol etabonate

C24H31ClO7CAS 82034-46-6466.96 g/mol

Open in Covalent MOL file
OOOOOClOOH
AlcoholAlkeneAlkyl halideCarbonateEsterKetone

Properties

Molecular formula
C24H31ClO7
Molar mass
466.96 g/mol
Exact mass
466.1758 Da
Melting point
220.5–223.5 °C
logP
3.92Crippen estimate
Polar surface area
99.1 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
4
Stereocentres
R, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
82034-46-6
SMILES
CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChIKey
DMKSVUSAATWOCU-HROMYWEYSA-N
InChI
InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • Androsta-1,4-diene-17-carboxylic acid, 17-[(ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-, chloromethyl ester, (11β,17α)-
  • HGP 1
  • CDDD 5604
  • P 5604
  • Lenoxin
  • Alrex
  • Lotemax

Work with Loteprednol etabonate

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

Prednicarbate73771-04-773 % similar Prednisolone acetate52-21-155 % similar Deprodone20423-99-855 % similar Prednisolone50-24-854 % similar Prednisolone 21-hemisuccinate2920-86-752 % similar Prednisolone sodium succinate1715-33-952 % similar Rimexolone49697-38-349 % similar Prednisolone sodium phosphate125-02-048 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook