1-Benzylindole-3-carboxaldehyde - CAS 10511-51-0
Catalog: |
BB001556 |
Product Name: |
1-Benzylindole-3-carboxaldehyde |
CAS: |
10511-51-0 |
Synonyms: |
1-benzylindole-3-carbaldehyde |
IUPAC Name: | 1-benzylindole-3-carbaldehyde |
Description: | 1-Benzylindole-3-carbaldehyde was patented as an oncogenic ras-specific cytotoxic Oncrasin compund for treatment of cancer and viral infections. It was also studied to show its inhibitory effect on RNA polymerase II as a potential anticancer agent. |
Molecular Weight: | 235.28 |
Molecular Formula: | C16H13NO |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=O |
InChI: | InChI=1S/C16H13NO/c18-12-14-11-17(10-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,11-12H,10H2 |
InChI Key: | OXCITQLDOUGVRZ-UHFFFAOYSA-N |
Boiling Point: | 439.8 °C at 760 mmHg |
Melting Point: | 107 °C |
Purity: | 95 % |
Density: | 1.1 g/cm3 |
Appearance: | Solid |
Storage: | -20 °C |
MDL: | MFCD00022894 |
LogP: | 3.50210 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21443218 | 20110428 | Analogues and derivatives of oncrasin-1, a novel inhibitor of the C-terminal domain of RNA polymerase II and their antitumor activities | Journal of medicinal chemistry |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.099714038 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 22 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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