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103577-45-3

103577-45-3 structural image
Product Name: Lansoprazole
Formula: C16H14F3N3O2S
Synonyms: 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl] methyl] sulfinyl]-1H-benzimidazole;LAN;Lansoprazole
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form White to brownish-white crystalline powder
Odor Odorless
Melting Point 178-182 °C
Solubility >55.4 [ug/mL] (The mean of the results at pH 7.4)
Dissociation Constants pKa1 = 1.1; pKa2 = 6.9; pKa3 = 12 /Estimated/
Collision Cross Section 185.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 369.4 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 369.07588236 g/mol
Monoisotopic Mass 369.07588236 g/mol
Topological Polar Surface Area 87.1 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 480
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Lansoprazole is a proton pump inhibitor. Lansoprazole decreases the amount of acid produced in the stomach. It is used to treat certain conditions where there is too much acid in the stomach. It is used to treat duodenal and gastric ulcers, gastric ulcers caused by NSAID use, erosive esophagitis, and gastroesophageal reflux disease (GERD).

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