![(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid structure, CAS 74874-10-5](/structures/60000/47804_1_74874_10_5.png)
CAS Number74874-10-5
SynonymsN-Nitro-1,2,3,4-tetradehydro Argatroban; MFCD08458426
Molecular FormulaC23H31N7O7S
Molecular Weight549.60
Purity98.00%
Density1.5±0.1 g/cm3
Boiling Point814.8±75.0 °C at 760 mmHg
Melting Point18 °C
AppearanceWhite to off-white solid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 74874-10-5 |
| Catalog No. | 2A-9047804 |
| Chinese Name | (2R,4R)-1-[(2S)-5-[[亚硝胺甲基]氨基]-2-[[(3-甲基-8-喹啉基)酰磺基]氨基]-1-氧代戊基]-4-甲基-2-哌啶甲酸 |
| Synonyms | N-Nitro-1,2,3,4-tetradehydro Argatroban; MFCD08458426 |
| Molecular Formula | C23H31N7O7S |
| Molecular Weight | 549.60 |
| Purity | 98.00 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 814.8±75.0 °C at 760 mmHg |
| Melting Point | 18 °C |
| Appearance | White to off-white solid |
| Water Solubility | practically insoluble |
| Storage Condition | -20°C, sealed, dry |
| HTC | 29163100 |
| PubChem ID | 163849123 |
| MDL Number | MFCD08458426 |
| SMILES | [S](=O)(=O)(N[C@@H](CCCN=C(N[N+](=O)[O-])N)C(=O)N3[C@H](C[C@@H](CC3)C)C(=O)O)c1c2ncc(cc2ccc1)C |
| InChI | 1S/C23H31N7O7S/c1-14-8-10-29(18(12-14)22(32)33)21(31)17(6-4-9-25-23(24)27-30(34)35)28-38(36,37)19-7-3-5-16-11-15(2)13-26-20(16)19/h3,5,7,11,13-14,17-18,28H,4,6,8-10,12H2,1-2H3,(H,32,33)(H3,24,25,27)/t14-,17+,18-/m1/s1 |
| InChI Key | XBDLKMBSCAVLDV-FHLIZLRMSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | 4.1 |
| MSDS | msds/47804_1_74874_10_5.pdf |
| Transport Info | Product name: (2R, 4R)-4-methyl-1-((S)-2-(3-methylquinoline-8-sulfonamido)-5-(3-nitroguanidino)pentanoyl)piperidine-2-carboxylic acid |
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| N-Boc-trans-4-Hydroxy-L-proline methyl ester | 74844-91-0 | 2A-9047793 |
| Ethyl (2R,4R)-1-[2-amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylate hydrochloride | 74874-08-1 | 2A-9047802 |
| (2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid ethyl ester | 74874-09-2 | 2A-9047803 |
| (2R,4R)-4-Methylpiperidine-2-carboxylic acid | 74892-81-2 | 2A-9047806 |
| Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate | 74892-82-3 | 2A-9047807 |
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