I2006
Indole-3-carboxylic acid
Synonym(s):
β-Indolylcarboxylic acid, 3-Carboxyindole, 3-Indole formic acid, 3-Indolylcarboxylic acid, Indole-β-carboxylic acid
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About This Item
Empirical Formula (Hill Notation):
C9H7NO2
CAS Number:
Molecular Weight:
161.16
Beilstein:
129435
EC Number:
MDL number:
UNSPSC Code:
12352100
mp
232-234 °C (dec.) (lit.)
SMILES string
OC(=O)c1c[nH]c2ccccc12
InChI
1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
InChI key
KMAKOBLIOCQGJP-UHFFFAOYSA-N
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Application
Reactant for preparation of:
- Anticancer agents
- Derivatives of amino acids and peptides
- Serotonin 5-HT4 receptor antagonists
- Primary acylureas
- Inhibitors of Gli1-mediated transcription in the Hedgehog pathway
- Serotonin 5-HT6 antagonists
- Very Late Antigen-4 (VLA-4) sntagonists
- EphB3 receptor tyrosine kinase inhibitors
- Potential Therapeutic Agent for Alzheimer′s Disease
- Vinyl ester pseudotripeptide proteasome inhibitors
Regulatory Information
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