Introduction：Basic information about CAS 74874-10-5|(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid |
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| CAS Number | 74874-10-5 | Molecular Weight | 549.600 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 814.8±75.0 °C at 760 mmHg |
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| Molecular Formula | C23H31N7O7S | Melting Point | 18 °C |
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| MSDS | / | Flash Point | 446.6±37.1 °C |
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Names
| Name | 2-piperidinecarboxylic acid, 1-[5-[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-,[2r-[1(s*), 2alpha, 4beta]] |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 814.8±75.0 °C at 760 mmHg |
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| Melting Point | 18 °C |
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| Molecular Formula | C23H31N7O7S |
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| Molecular Weight | 549.600 |
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| Flash Point | 446.6±37.1 °C |
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| Exact Mass | 549.200562 |
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| PSA | 218.78000 |
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| LogP | 1.53 |
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| Vapour Pressure | 0.0±3.1 mmHg at 25°C |
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| Index of Refraction | 1.686 |
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| InChIKey | XBDLKMBSCAVLDV-FHLIZLRMSA-N |
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| SMILES | Cc1cnc2c(S(=O)(=O)NC(CCCN=C(N)N[N+](=O)[O-])C(=O)N3CCC(C)CC3C(=O)O)cccc2c1 |
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| Water Solubility | practically insoluble |
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | R22:Harmful if swallowed. |
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| Safety Phrases | S25 |
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| RIDADR | 1325.0 |
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| WGK Germany | 2 |
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| RTECS | DG4200000 |
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| Hazard Class | 4.1 |
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| HS Code | 29163100 |
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Customs
Synonyms
| (2R,4R)-4-Methyl-1-{N-[(3-methylquinolin-8-yl)sulfonyl]-N-(N-nitrocarbamimidoyl)-L-ornithyl}piperidine-2-carboxylic acid |
| N-Nitro-1,2,3,4-tetradehydro Argatroban |
| MFCD08458426 |
| (2R,4R)-4-Methyl-1-{N-[(3-methyl-8-quinolinyl)sulfonyl]-N-(N-nitrocarbamimidoyl)-L-ornithyl}-2-piperidinecarboxylic acid |
| 2-Piperidinecarboxylic acid, 1-[(2S)-5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, (2R,4R)- |
