5-Chloro-N-{(2S,3R)-3-Hydroxy-4-[Methoxy(Methyl)Amino]-4-Oxo-1-Phenyl-2-Butanyl}-1H-Indole-2-Carboxamide
[CAS# 186392-43-8]

Identification

• Name: 5-Chloro-N-{(2S,3R)-3-Hydroxy-4-[Methoxy(Methyl)Amino]-4-Oxo-1-Phenyl-2-Butanyl}-1H-Indole-2-Carboxamide
• Synonyms: 1H-Indole-2-carboxamide, 5-chloro-N-[(1S,2R)-2-hydroxy-3-(methoxymethylamino)-3-oxo-1-(phenylmethyl)propyl]-; 5-chloro-N-((2S,3R)-3-hydroxy-4-(methoxy(methyl)amino)-4-oxo-1-phenylbutan-2-yl)-1H-indole-2-carboxamide; 5-Chloro-N-[(1S,2R)-2-hydroxy-3-(methoxymethylamino)-3-oxo-1-(phenylmethyl)propyl]-1H-indole-2-carboxamide
• Molecular Formula: C₂₁H₂₂ClN₃O₄
• Molecular Weight: 415.87
• CAS Registry Number: 186392-43-8
• SMILES: CN(C(=O)[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)O)OC
• InChI: 1S/C21H22ClN3O4/c1-25(29-2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h3-9,11-12,17,19,23,26H,10H2,1-2H3,(H,24,27)/t17-,19+/m0/s1
• InChIKey: WEQLRDLTRCEUHG-PKOBYXMFSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Refractive index: 1.649 (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol