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| Name |
Prosultiamine |
EINECS | 200-436-3 |
| CAS No. | 59-58-5 | Density | 1.261 g/cm3 |
| PSA | 142.94000 | LogP | 3.94800 |
| Solubility | N/A | Melting Point |
128.5°C (rough estimate) |
| Formula | C15H24N4O2S2 | Boiling Point | 593.7 °C at 760 mmHg |
| Molecular Weight | 356.513 | Flash Point | 312.9 °C |
| Transport Information | N/A | Appearance | white crystalline or crystalline powder |
| Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)-1-butenyl]-(8CI,9CI);2-[2'-Methyl-4'-aminopyrimidyl-(5')]-methylformamido-5-hydroxy-D2-pentenyl-(3)-propyl disulfide;Alinamin;Aliton;Arinamine;Binova;Dithiopropylthiamine;N-[4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)-1-butenyl]formamide;NSC 23893;NSC 677470;Nervilon;Neurvita;Nevriton;Nuvelbi V. C. A.;Prosulthiamine;Prosultiamine;TPD;Taketron;Thiamin propyl disulfide;Thiamine propyl disulfide;Tiotiamina;Tiovit-B1;Tipidi;Vitamin B1 propyldisulfide; |
Prosultiamine Chemical Properties
Molecular Structure of Dithiopropylthiamine (59-58-5):
EINECS: 200-436-3
IUPAC Name: N-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-propyldisulfanylpent-2-en-2-yl]formamide
Molecular Formula: C15H24N4O2S2
Molecular Weight: 356.506660 g/mol
XLogP3-AA: 1.1
H-Bond Donor: 2
H-Bond Acceptor: 5
Canonical SMILES: CCCSSC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)CCO
Isomeric SMILES: CCCSS/C(=C(\C)/N(CC1=CN=C(N=C1N)C)C=O)/CCO
InChI: InChI=1S/C15H24N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18)/b14-11+
InChIKey: UDCIYVVYDCXLSX-SDNWHVSQSA-N
Index of Refraction: 1.62
Molar Refractivity: 99.28 cm3
Molar Volume: 282.5 cm3
Surface Tension: 59.9 dyne/cm
Density: 1.261 g/cm3
Flash Point: 312.9 °C
Boiling Point: 593.7 °C at 760 mmHg
Enthalpy of Vaporization: 93.09 kJ/mol
Vapour Pressure: 6.07E-15 mmHg at 25 °C
Water Solubility: 149.9 mg/L at 25 °C
Prosultiamine Toxicity Data With Reference
| 1. | orl-mus LD50:2750 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),724. | ||
| 2. | ipr-mus LD50:650 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),724. | ||
| 3. | ivn-mus LD50:320 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),724. |
Prosultiamine Safety Profile
Safety Information of Dithiopropylthiamine (59-58-5):
Risk Statements: 20/21/22-36/37/38
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx and NOx.
Prosultiamine Specification
Dithiopropylthiamine (59-58-5) is a kind of vitamins and derivatives, also known as Prosultiamine ; Prosultiamine [INN:DCF:JAN] ; Alinamin ; Aliton ; Arinamine ; N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-1-methyl-2-(propyldithio)-1-butenyl)formamide ; NSC 23893 ; Nervilon ; Neurvita ; Nevriton ; Nuvelbi V.C.A. ; Prosultiamina ; Prosultiamina [INN-Spanish] ; Prosultiaminum ; Prosultiaminum [INN-Latin] ; TPD ; Thiamin propyl disulfide ; Thiamine propyl disulfide ; Tiotiamina ; Tiovit-B(sub 1) ; Tiovit-B1 ; Tipidi ; UNII-UI32MM3XE3 ; Vitamin B(sub 1) propyl disulfide ; Vitamin B1 propyl disulfide ; Formamide, N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-1-methyl-2-(propyldithio)-1-butenyl)- .
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