Loteprednol etabonate

C₂₄H₃₁ClO₇CAS 82034-46-6466.96 g/mol

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Alcohol Alkene Alkyl halide Carbonate Ester Ketone

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 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 4
Stereocentres: R, S, S, R, S, S, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H361 Suspected of damaging fertility or the unborn child62.5% of notifiers
H362 May cause harm to breast-fed children50% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure37.5% of notifiers
H413 May cause long lasting harmful effects to aquatic life12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P263, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P362+P364, P405, P501

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

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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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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