6-Cyano-3,5-dihydro-1-hydroxy-7-methyl-5-oxo-2-indolizinecarboxylic Acid Methyl Ester - CAS 73427-92-6
Catalog: |
BB069149 |
Product Name: |
6-Cyano-3,5-dihydro-1-hydroxy-7-methyl-5-oxo-2-indolizinecarboxylic Acid Methyl Ester |
CAS: |
73427-92-6 |
Synonyms: |
Methyl 6-cyano-1-hydroxy-7-methyl-5-oxo-3,5-dihydroindolizine-2-carboxylate; 6-Cyano-1-hydroxy-7-methyl-5-oxo-3,5-dihydro-indolizine-2-carboxylic acid methyl ester; methyl 6-cyano-1-hydroxy-7-methyl-5-oxo-3H-indolizine-2-carboxylate; 6-Cyano-3,5-dihydro-1-hydroxy-7-methyl-5-oxo-2-indolizinecarboxylic Acid Methyl Ester |
IUPAC Name: | methyl 6-cyano-1-hydroxy-7-methyl-5-oxo-3H-indolizine-2-carboxylate |
Description: | 6-Cyano-3,5-dihydro-1-hydroxy-7-methyl-5-oxo-2-indolizinecarboxylic Acid Methyl Ester is a key intermediate in the synthesis of camptothecin (C175150) analogues. |
Molecular Weight: | 246.22 |
Molecular Formula: | C12H10N2O4 |
Canonical SMILES: | CC1=C(C(=O)N2CC(=C(C2=C1)O)C(=O)OC)C#N |
InChI: | InChI=1S/C12H10N2O4/c1-6-3-9-10(15)8(12(17)18-2)5-14(9)11(16)7(6)4-13/h3,15H,5H2,1-2H3 |
InChI Key: | SMZUVBTVMMVLDU-UHFFFAOYSA-N |
Solubility: | DMSO |
Appearance: | Yellow Solid |
References: | Fan, Y., et al. J. Med. Chem., 41, 2216 (1998), Kaufmann, S.H., et al. Biochim. Biophys. Acta, 1400, 195 (1998),. |
Complexity: | 601 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.0640568 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.0640568 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 90.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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