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| Name |
Octotiamine |
EINECS | N/A |
| CAS No. | 137-86-0 | Density | 1.268g/cm3 |
| PSA | 211.61000 | LogP | 5.30980 |
| Solubility | N/A | Melting Point |
106-109° |
| Formula | C23H36 N4 O5 S3 | Boiling Point | 722°Cat760mmHg |
| Molecular Weight | 544.761 | Flash Point | 390.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous route. Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx and NOx. See also ESTERS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Octanoic acid,6-(acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propenyl]dithio]-,methyl ester (9CI); Gerostop; Neuvitan; Octotiamine;S-(3-Acetylthio-7-carbomethoxyheptylthio)thiamine; TATD; Thiamine 8-(methyl6-acetyldihydrothioctate) disulfide;Thiamine(7-methoxycarbonyl-3-acetylthioheptyl) disulfide |
Octotiamine Chemical Properties
IUPAC Name: Methyl-6-acetylsulfanyl-8-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-
formylamino]-5-hydroxypent-2-en-3-yl]disulfanyloctanoate
The MF of Octotiamine (CAS NO.137-86-0) is C23H36N4O5S3.
The MW of Octotiamine (CAS NO.137-86-0) is 544.75.
Synonyms of Octotiamine (CAS NO.137-86-0): 6-(Acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pirimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propenyl]dithio]octanoic acid methyl ester ; 8-((2-(N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamido)-1-(2-hydroxyethyl)propenyl)dithio)-6-mercaptooctanoic acid, methyl ester acetate
Index of Refraction: 1.595
Density: 1.268 g/ml
Flash Point: 390.5 °C
Boiling Point: 722 °C
Octotiamine Toxicity Data With Reference
| 1. | orl-mus LD50:2590 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),159. | ||
| 2. | ipr-mus LD50:522 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),159. | ||
| 3. | scu-mus LD50:1410 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),159. | ||
| 4. | ivn-mus LD50:399 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),159. |
Octotiamine Safety Profile
Poison by intravenous route. Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx and NOx. See also ESTERS.
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