Pyrithioxin dihydrochloride supplier

Name
PYRITHIOXIN DIHYDROCHLORIDE
EINECS 233-178-5
CAS No. 10049-83-9
Density 1.448g/cm3
Solubility
Melting Point 184 °C
Formula C₁₆H₂₂Cl₂N₂O₄S₂
Boiling Point 742.8 °C at 760 mmHg
Molecular Weight 441.39
Flash Point 403 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyridinemethanol,3,3'-(dithiodimethylene)bis[5-hydroxy-6-methyl-,dihydrochloride (7CI,8CI);4-Pyridinemethanol,3,3'-[dithiobis(methylene)]bis[5-hydroxy-6-methyl-,dihydrochloride (9CI);Biocefalin;Encephabol;Enerbol;Pyriditol;
PSA 157.30000
LogP 4.17480

Pyrithioxin dihydrochloride Specification

The Pyritinol dihydrochloride, with the CAS registry number 10049-83-9, is also known as 3,3'-Dithiobis(methylene)bis(5-hydroxy-6-methyl-4-pyridinemethanol) dihydrochloride. Its EINECS registry number is 233-178-5. The molecular formula is C₁₆H₂₂Cl₂N₂O₄S₂ and molecular weight is 441.39. Its systematic name is called 5,5'-(disulfanediyldimethanediyl)bis[4-(hydroxymethyl)-2-methylpyridin-3-ol] dihydrochloride. And it belongs to the class of Drug / Therapeutic Agent. What's more, it can be used to prepare organic functional materials and medicine.

Physical properties of Pyritinol dihydrochloride: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/LogD (pH 7.4): 0.47; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.43; (7)ACD/KOC (pH 7.4): 22.39; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 11; (11)Flash Point: 403 °C; (12)Enthalpy of Vaporization: 113.68 kJ/mol; (13)Boiling Point: 742.8 °C at 760 mmHg; (14)Vapour Pressure: 3.6E-23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C.Cl.Cl
(2)InChI: InChI=1S/C16H20N2O4S2.2ClH/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20;;/h3-4,19-22H,5-8H2,1-2H3;2*1H
(3)InChIKey: HRZWYHGGJOWGRI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	intravenous	124mg/kg (124mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
mouse	LD50	intraperitoneal	685mg/kg (685mg/kg)		Agents and Actions, A Swiss Journal of Pharmacology. Vol. 16, Pg. 580, 1985.
mouse	LD50	intravenous	221mg/kg (221mg/kg)		Trudy Moskovskogo Obshchestva Ispytatelei Prirody. Transactions of the Moscow Society of Naturalists. Vol. 54, Pg. 156, 1978.
mouse	LD50	oral	5786mg/kg (5786mg/kg)		Trudy Moskovskogo Obshchestva Ispytatelei Prirody. Transactions of the Moscow Society of Naturalists. Vol. 54, Pg. 156, 1978.
mouse	LD50	subcutaneous	3170mg/kg (3170mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
rat	LD50	intraperitoneal	> 1gm/kg (1000mg/kg)		Drugs in Japan Vol. 6, Pg. 643, 1982.
rat	LD50	intravenous	300mg/kg (300mg/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 26, 1964.
rat	LD50	oral	6gm/kg (6000mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.
rat	LD50	subcutaneous	3gm/kg (3000mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT	Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 922, 1961.

Product Name

PYRITHIOXIN DIHYDROCHLORIDE

Pyrithioxin dihydrochloride Specification

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