Choline fenofibrate

C₂₂H₂₈ClNO₅CAS 856676-23-8421.92 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Carboxylic acid Ether Ketone Quaternary ammonium

Properties

Molecular formula: C₂₂H₂₈ClNO₅
Molar mass: 421.92 g/mol
Exact mass: 421.1656 Da
logP: 2.16Crippen estimate
Polar surface area: 86.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 7

Hazards

Danger

H302 Harmful if swallowed98.1% of notifiers
H318 Causes serious eye damage94.4% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure96.3% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P319, P330, P501

Identifiers

CAS number

856676-23-8

SMILES

CC(C)(C(=O)[O-])OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.C[N+](C)(C)CCO

InChIKey

JWAZHODZSADEHB-UHFFFAOYSA-M

InChI

InChI=1S/C17H15ClO4.C5H14NO/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11;1-6(2,3)4-5-7/h3-10H,1-2H3,(H,20,21);7H,4-5H2,1-3H3/q;+1/p-1

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

Names and synonyms

1 names

Unii-4bmh7izt98

Work with Choline fenofibrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fenofibric acid42017-89-0Free acid Choline62-49-7Cation Choline chloride67-48-1Salt Choline hydroxide123-41-1Salt Choline bitartrate87-67-2Salt Oxtriphylline4499-40-5Salt Choline dihydrogen citrate77-91-8Salt Choline iodide17773-10-3Salt Ferrocholinate1336-80-7Salt Choline bicarbonate78-73-9Salt Trimethyl(2-hydroxyethyl)ammonium bromide1927-06-6Salt Choline p-toluenesulfonate55357-38-5Salt

Similar compounds

Aluminum clofibrate24818-79-957 % similar Fenofibrate49562-28-950 % similar Clofibric acid882-09-745 % similar Clofibrate637-07-042 % similar Bezafibrate41859-67-041 % similar 4,4′-Dichlorobenzophenone90-98-238 % similar 4-Chloro-4′-hydroxybenzophenone42019-78-337 % similar Etofibrate31637-97-536 % similar

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

Elsewhere

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