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Quinidine sulfate dihydrate

CAT: 0286-Q00350-01Size: 10 gDry Ice: NoHazardous: No
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CAS Number
6591-63-5
Pictogram
06 - Acute Toxicity; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00149346
Hazard Statement
H301 Toxic if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Quinidine sulfate dihydrate

See also: Quinidine sulfate anhydrous (annotation moved to) ... View More ...

CAS Number6591-63-5
PubChem CID656862
IUPAC Namebis((S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid;dihydrate
Molecular FormulaC40H54N4O10S
Molecular Weight782.9
Topological Polar Surface Area176
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count55
Formal Charge0
Complexity538
SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O.OS(=O)(=O)O
InChI
InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19+,20-;;;/m00.../s1
InChIKey
ZHNFLHYOFXQIOW-AHSOWCEXSA-N
Chemical Structure
2D Structure
2D structure of Quinidine sulfate dihydrate
CAS: 6591-63-5
CID: 656862
Formula: C40H54N4O10S
MW: 782.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight782.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass782.35606511
Monoisotopic Mass782.35606511
Topological Polar Surface Area176 Ų
Heavy Atom Count55
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T8125-01Quinidine sulfate dihydrate
HY-B1751DQuinidine (sulfate dihydrate)
TRC-Q685045-50GQuinidine Hydrochloride Dihydrate
M21195-01Quinidine sulfate
HY-B1751AQuinidine (sulfate)
TRC-Q685040-50GQuinidine Sulfate (>85%)

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