Introduction：Basic information about CAS 153438-49-4|Dapitant, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Dapitant |
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| CAS Number | 153438-49-4 | Molecular Weight | 561.710 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 740.9±60.0 °C at 760 mmHg |
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| Molecular Formula | C37H39NO4 | Melting Point | / |
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| MSDS | / | Flash Point | 401.9±32.9 °C |
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Names
| Name | Dapitant |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 740.9±60.0 °C at 760 mmHg |
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| Molecular Formula | C37H39NO4 |
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| Molecular Weight | 561.710 |
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| Flash Point | 401.9±32.9 °C |
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| Exact Mass | 561.287903 |
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| LogP | 7.38 |
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| Vapour Pressure | 0.0±2.6 mmHg at 25°C |
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| Index of Refraction | 1.611 |
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| InChIKey | CCIWVEMVBWEMCY-RCFOMQFPSA-N |
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| SMILES | COc1ccccc1C(C)C(=O)N1CC2C(C1)C(c1ccccc1)(c1ccccc1)CCC2(O)c1ccccc1OC |
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Synonyms
| (3aS-(2(R*),3aa,4b,7aa))-Octahydro-4-(2-methoxyphenyl)-2-(2-(2-methoxyphenyl)-1-oxopropyl)-7,7-diphenyl-1H-isoindol-4-ol |
| Dapitant |
| 1-Propanone, 2-(2-methoxyphenyl)-1-[(3aS,4S,7aS)-octahydro-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-2H-isoindol-2-yl]-, (2S)- |
| (2S)-1-[(3aS,4S,7aS)-4-Hydroxy-4-(2-methoxyphenyl)-7,7-diphenyloctahydro-2H-isoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one |
| UNII-NRD5XF638P |
| (2S)-1-[(3aS,4S,7aS)-4-Hydroxy-4-(2-methoxyphenyl)-7,7-diphenyloctahydro-2H-isoindol-2-yl]-2-(2-methoxyphenyl)-1-propanone |
| NRD5XF638P |
| (3aS,4S,7aS)-4-(2-Methoxyphenyl)-2-((2S)-2-(2-methoxyphenyl)propanoyl)-7,7-diphenyloctahydro-1H-isoindol-4-ol |
| 7394 |
