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207671-44-1

207671-44-1 structural image
Product Name: QUININE HEMISULFATE SALT MONOHYDRATE
Formula: C40H52N4O9S
Synonyms: Chinini sulfas;Quinine hemisulfate salt monohydrate;Quinine sulfate (2:1) (salt) dihydrate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dull solid that turns brownish on exposure to light; [Merck Index] Powder; [Alfa Aesar MSDS]
Chemical Classes Other Uses -> Food Additives

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 782.9 g/mol
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 8
Exact Mass 782.35606511 g/mol
Monoisotopic Mass 782.35606511 g/mol
Topological Polar Surface Area 176 Ų
Heavy Atom Count 55
Formal Charge 0
Complexity 538
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 5
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Quinine Sulfate is the sulfate salt form of the quinidine alkaloid isolate quinine. Quinine has many mechanisms of action, including reduction of oxygen intake and carbohydrate metabolism; disruption of DNA replication and transcription via DNA intercalation; and reduction of the excitability of muscle fibers via alteration of calcium distribution. This agent also inhibits the drug efflux pump P-glycoprotein which is overexpressed in multi-drug resistant tumors and may improve the efficacy of some antineoplastic agents. (NCI04)