IG4

Catalog NumberBL-M000570
CAS Number2132345-12-9
IUPAC Name4-fluoro-N-[(2S,3R)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-1H-indole-2-carboxamide
Synonyms4-Fluoro-N-[(2S,3R)-3-hydroxy-1-oxo-1-(tridecylamino)-2-butanyl]-1H-indole-2-carboxamide; 1H-Indole-2-carboxamide, 4-fluoro-N-[(1S,2R)-2-hydroxy-1-[(tridecylamino)carbonyl]propyl]-
Molecular Weight461.61
Molecular FormulaC26H40FN3O3
Boiling Point714.3±60.0°C at 760 mmHg
Purity>99%
Density1.1±0.1 g/cm3
AppearanceWhite Solid
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 67.65%, H 8.73%, F 4.12%, N 9.10%, O 10.40%
Canonical SMILESCCCCCCCCCCCCCNC(=O)C(C(C)O)NC(=O)C1=CC2=C(N1)C=CC=C2F
InChIInChI=1S/C26H40FN3O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-28-26(33)24(19(2)31)30-25(32)23-18-20-21(27)15-14-16-22(20)29-23/h14-16,18-19,24,29,31H,3-13,17H2,1-2H3,(H,28,33)(H,30,32)/t19-,24+/m1/s1
InChI KeyCQFMAVANBXIUEM-DVECYGJZSA-N

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