Introduction:Basic information about CAS 830-89-7|Albutoin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Albutoin |
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| CAS Number | 830-89-7 | Molecular Weight | 212.31200 |
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| Density | 1.12g/cm3 | Boiling Point | 275.2ºC at 760 mmHg |
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| Molecular Formula | C10H16N2OS | Melting Point | / |
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| MSDS | / | Flash Point | 120.3ºC |
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Names
| Name | 5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one |
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| Synonym | More Synonyms |
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Albutoin BiologicalActivity
| Description | Albutoin (BAX 422Z), an anticonvulsant agent, is a thiohydantoin derivative used for the research of grand mal epilepsies[1]. |
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| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Neurological Disease |
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| References | [1]. Herdson PB, et al. Electron microscope studies on enzyme activity and the isolation of thiohydantoin-induced myelin figures in rat liver. J Cell Biol. 1965;25(3):485-493. [2]. Millichap JG, et al. Albutoin, a new thiohydantoin derivative for grand mal epilepsies. Comparison with diphenylhydantoin in a double-blind, controlled study. Neurology. 1967;17(2):162-165. |
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Chemical & Physical Properties
| Density | 1.12g/cm3 |
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| Boiling Point | 275.2ºC at 760 mmHg |
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| Molecular Formula | C10H16N2OS |
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| Molecular Weight | 212.31200 |
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| Flash Point | 120.3ºC |
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| Exact Mass | 212.09800 |
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| PSA | 71.47000 |
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| LogP | 1.08860 |
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| Index of Refraction | 1.558 |
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| InChIKey | RATGSRSDPNECNO-UHFFFAOYSA-N |
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| SMILES | C=CCN1C(=O)C(CC(C)C)NC1=S |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NJ0775300
- CHEMICAL NAME :
- 4-Imidazolidinone, 5-(2-methylpropyl)-3-(2-propenyl)-2-thioxo-
- CAS REGISTRY NUMBER :
- 830-89-7
- BEILSTEIN REFERENCE NO. :
- 0163719
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C10-H16-N2-O-S
- MOLECULAR WEIGHT :
- 212.34
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 785 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,107,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 294 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,107,1961 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 mg/kg/10D-I
- TOXIC EFFECTS :
- Endocrine - evidence of thyroid hypofunction Endocrine - changes in thyroid weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,107,1961
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10200 mg/kg/17D-I
- TOXIC EFFECTS :
- Behavioral - tolerance
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,107,1961
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Safety Information
Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 3-Allyl-5-isobutyl-2-thiohydantoin |
| BAX 422 Z |
| Euprax |
| 3-allyl-5-isobutyl-2-thioxo-imidazolidin-4-one |
| ALBUTOIN |
| Coord |