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B8875

1-Benzylindole-3-carboxylic acid

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About This Item

Empirical Formula (Hill Notation):
C16H13NO2
CAS Number:
27018-76-4
Molecular Weight:
251.28
NACRES:
NA.22
PubChem Substance ID:
57653965
UNSPSC Code:
12352100
MDL number:
MFCD00057094
Form:
solid
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form

solid

functional group

phenyl

storage temp.

−20°C

SMILES string

OC(=O)c1cn(Cc2ccccc2)c3ccccc13

InChI

1S/C16H13NO2/c18-16(19)14-11-17(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,11H,10H2,(H,18,19)

InChI key

LVYDDRHDOKXFMW-UHFFFAOYSA-N

Application

Reactant for preparation of:
  • Indoleacetic acid analogs as differentiation-inducing and antiproliferative agents for human myeloblastoma cells
  • Indole-carboxamide derivatives as inhibitors of lipid peroxidation and superoxide anion formation
  • Indole carboxamides as hyaluronidase inhibitors
  • Fuconojirimycin derivatives as inhibitors of α-fucosidases
  • Indole-2 and 3-carboxamides as selective cyclooxygenase-2 inhibitors
  • Indole amides as antihistaminic agents

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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