Basic Information | Post buying leads | Suppliers |
Name |
Pyrithioxin dihydrochloride |
EINECS | 233-178-5 |
CAS No. | 10049-83-9 | Density | 1.448g/cm3 |
PSA | 157.30000 | LogP | 4.17480 |
Solubility | N/A | Melting Point |
184 °C |
Formula | C16H22Cl2N2O4S2 | Boiling Point | 742.8 °C at 760 mmHg |
Molecular Weight | 441.39 | Flash Point | 403 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
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. |