Introduction：Basic information about CAS 15574-49-9|Mecarbinate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Mecarbinate |
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| CAS Number | 15574-49-9 | Molecular Weight | 233.263 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 399.8±37.0 °C at 760 mmHg |
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| Molecular Formula | C13H15NO3 | Melting Point | 208-212ºC |
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| MSDS | / | Flash Point | 195.6±26.5 °C |
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Names
| Name | Ethyl 1,2-Dimethyl-5-Hydroxyindole-3-Carboxylate |
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| Synonym | More Synonyms |
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Mecarbinate BiologicalActivity
| Description | Mecarbinate is an anti-hepatitis C virus (HCV) agent. |
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| Related Catalog | Signaling Pathways >>Anti-infection >>HCVResearch Areas >>InfectionNatural Products >>Phenols |
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| Target | HCV |
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| References | [1]. Andreev IA, et al. Discovery of the 2-phenyl-4,5,6,7-Tetrahydro-1H-indole as a novel anti-hepatitis C virus targeting scaffold. Eur J Med Chem. 2015;96:250-8. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 399.8±37.0 °C at 760 mmHg |
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| Melting Point | 208-212ºC |
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| Molecular Formula | C13H15NO3 |
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| Molecular Weight | 233.263 |
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| Flash Point | 195.6±26.5 °C |
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| Exact Mass | 233.105194 |
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| PSA | 51.46000 |
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| LogP | 2.77 |
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| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
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| Index of Refraction | 1.572 |
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| InChIKey | YTBNTDMBGXAOCG-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)c1c(C)n(C)c2ccc(O)cc12 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NL6003600
- CHEMICAL NAME :
- 1H-Indole-3-carboxylic acid, 5-hydroxy-1,2-dimethyl-, ethyl ester
- CAS REGISTRY NUMBER :
- 15574-49-9
- BEILSTEIN REFERENCE NO. :
- 0193275
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C13-H15-N-O3
- MOLECULAR WEIGHT :
- 233.29
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (1),29,1994
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (1),29,1994
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (1),29,1994
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| HS Code | 2933990090 |
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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
| 1,2-Dimethyl-5-hydroxyindole-3-Carboxylate Ethyl |
| Mecarbine |
| MFCD00451373 |
| 5-Hydroxy-1,2-dimethylindole-3-carboxylic Acid Ethyl Ester |
| Ethyl 5-Hydroxy-1,2-dimethylindole-3-carboxylate |
| 1,2-Dimethyl-5-hydroxyindole-2-Carboxylate Ethyl |
| 1H-Indole-3-carboxylic acid, 5-hydroxy-1,2-dimethyl-, ethyl ester |
| Ethyl 5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate |
| Mecarbinate |
