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42017-89-0

42017-89-0 structural image
Product Name: Fenofibric acid
Formula: C17H15ClO4
Synonyms: 2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropionic acid;Fenofibric acid
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CHEMICAL AND PHYSICAL PROPERTIES

Ionization Efficiency Positive
Collision Cross Section 185.72 Ų [M-H]- 177.78 Ų [M+H]+

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P273:Avoid release to the environment.
P391:Collect spillage. Hazardous to the aquatic environment
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 318.7 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 318.0658866 g/mol
Monoisotopic Mass 318.0658866 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 405
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Fenofibric acid is a monocarboxylic acid that is 2-methylpropanoic acid substituted by a 4-(4-chlorobenzoyl)phenoxy group at position 2. It is a metabolite of the drug fenofibrate. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a chlorobenzophenone, a monocarboxylic acid and an aromatic ketone.

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