Quinine sulfate dihydrate
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Quinine sulfate dihydrate
structure -
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CAS No:
6119-70-6
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Formula:
C20H24N2O2.1/2H2O4S.2H2O
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Chemical Name:
Quinine sulfate dihydrate
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Synonyms:
Cinchonan-9-ol,6′-methoxy-,(8α,9R)-,sulfate,hydrate (2:1:4);Quinine,sulfate (2:1),dihydrate;Cinchonan-9-ol,6′-methoxy-,(8α,9R)-,sulfate (2:1) (salt),dihydrate;Quinine sulfate dihydrate;60411-27-0
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CAS No:
Description
White or almost white, crystalline powder or fine, colourless needles. Quinine sulfate is odorless and has a persistent, very bitter taste. It darkens on exposure to light. Its saturated solution is neutral or alkaline to litmus.
Quinine sulfate dihydrate Basic Attributes
782.96
782.356079
6113937
212-359-2
DTXSID0048979
29392000
Characteristics
178
Light yellow or beige to brown Crystalline Powder
~225 °C (dec.)(lit.)
253.7ºC
H2O: 0.12 g/100 mL (20 ºC);soluble in a mixture of chloroform and absolute alcohol (2:1).
Refrigerator
-245 º (c=2, 0.1M HCl)
Safety Information
UN 2811
3
36/37/38-42/43-22-36/38
26-45-37-24-37/39
VA8440000
Xi,Xn
Stable. Incompatible with strong oxidizing agents, alkalies, ammonia, strong bases, iodine.
|Danger|H302 (14.89%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 139 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Quinine sulfate dihydrate Use and Manufacturing
Primary alkaloid of various species of Cinchona (Rubiaceae). Optical isomer of Quinidine. Antimalarial; muscle relaxant (skeletal).
Computed Properties
Molecular Weight:440.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:440.16172241
Monoisotopic Mass:440.16172241
Topological Polar Surface Area:130
Heavy Atom Count:30
Complexity:538
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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