(2S,4R)-N-[2-Chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylsulfanyloxan-2-Yl]Propyl]-4-Ethylpiperidine-2-Carboxamide Hydrate Hydrochloride
[CAS# 77495-92-2]

Identification

• Name: (2S,4R)-N-[2-Chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylsulfanyloxan-2-Yl]Propyl]-4-Ethylpiperidine-2-Carboxamide Hydrate Hydrochloride
• Synonyms: (2S,4R)-N-[2-Chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylsulfanyl-Tetrahydropyran-2-Yl]Propyl]-4-Ethyl-Piperidine-2-Carboxamide Hydrate Hydrochloride; (2S,4R)-N-[2-Chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Methylthio)-2-Tetrahydropyranyl]Propyl]-4-Ethyl-2-Piperidinecarboxamide Hydrate Hydrochloride; (2S,4R)-N-[2-Chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Methylthio)Tetrahydropyran-2-Yl]Propyl]-4-Ethyl-Pipecolinamide Hydrate Hydrochloride
• Molecular Formula: C₁₇H₃₄Cl₂N₂O₆S
• Molecular Weight: 465.43
• CAS Registry Number: 77495-92-2
• SMILES: [C@@H]1(O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O)C(NC(=O)[C@H]2NCC[C@H](C2)CC)C(Cl)C.[H+].[Cl-].O
• InChI: 1S/C17H31ClN2O5S.ClH.H2O/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3;;/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24);1H;1H2/t8?,9-,10+,11?,12+,13-,14-,15-,17-;;/m1../s1
• InChIKey: CHAZSEMQYSZBFN-VLNIDNGMSA-N

Properties

• Boiling point: 643.9°C at 760 mmHg (Cal.)
• Flash point: 343.2°C (Cal.)