Introduction：Basic information about CAS 804-30-8|Fursultiamine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Fursultiamine |
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| CAS Number | 804-30-8 | Molecular Weight | 398.543 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 652.3±55.0 °C at 760 mmHg |
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| Molecular Formula | C17H26N4O3S2 | Melting Point | 130-136ºC (decompos.) |
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| MSDS | / | Flash Point | 348.3±31.5 °C |
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Names
| Name | N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide |
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| Synonym | More Synonyms |
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Fursultiamine BiologicalActivity
| Description | Fursultiamine is a vitamin B1 derivative. |
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| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/ImmunologyResearch Areas >>Neurological Disease |
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| References | [1]. Kobayashi T, et al. Fursultiamine, a vitamin B1 derivative, enhances chondroprotective effects of glucosamine hydrochloride and chondroitin sulfate in rabbit experimental osteoarthritis. Inflamm Res. 2005 Jun;54(6):249-55. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 652.3±55.0 °C at 760 mmHg |
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| Melting Point | 130-136ºC (decompos.) |
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| Molecular Formula | C17H26N4O3S2 |
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| Molecular Weight | 398.543 |
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| Flash Point | 348.3±31.5 °C |
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| Exact Mass | 398.144623 |
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| PSA | 152.17000 |
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| LogP | 2.35 |
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| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
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| Index of Refraction | 1.626 |
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| InChIKey | JTLXCMOFVBXEKD-FOWTUZBSSA-N |
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| SMILES | CC(=C(CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N |
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| Storage condition | 2-8℃ |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- LQ0750000
- CHEMICAL NAME :
- Formamide, N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydro xy-1-methyl-2- ((tetrahydrofurfuryl)dithio)-1-butenyl)-
- CAS REGISTRY NUMBER :
- 804-30-8
- BEILSTEIN REFERENCE NO. :
- 0052964
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C17-H26-N4-O3-S2
- MOLECULAR WEIGHT :
- 398.59
- WISWESSER LINE NOTATION :
- T6N CNJ B1 DZ E1NVHY1&UY2QSS1- BT5OTJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3016380
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 540 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3016380
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,699,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 540 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532, Japan) V.29- 1970- Volume(issue)/page/year: 30,242,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 430 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,699,1982
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Synonyms
| Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-buten-1-yl]- |
| Linamin |
| Alinamin F |
| N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-{5-hydroxy-3-[(tetrahydro-2-furanylmethyl)disulfanyl]-2-penten-2-yl}formamide |
| Formamide, N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-1-methyl-2-(((tetrahydro-2-furanyl)methyl)dithio)-1-butenyl)- |
| Diteftin |
| Thiamine tetrahydrofurfuryl disulfide |
| MFCD00867383 |
| Retar B1 |
| FURSULTIAMINE |
| Fursultiamin |
| Judolor |
| thiamine tetrahdydrofufuryl disulfide |
| EINECS 212-357-1 |
| TTFD |
| Thiamin-tetrahydrofurfuryl-disulfid |
| Adventan |
