4-Ethyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1)
(11S,17S)-14-ethyl-12-ethylidene-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde chloride
Also Known As: 4-Ethyl-17-oxo-2,16,19,20-tetrahydrocuraninium chloride|Curaninium, 2,16,19,20-tetrahydro-4-ethyl-17-oxo-, chloride|(11S,17S)-14-ethyl-12-ethylidene-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde;chloride|4-Ethyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1)|(3aS,5S,E)-3-ethyl-12-ethylidene-6-formyl-2,3,3a,4,5,7-hexahydro-1H-3,5-ethanopyrrolo[2,3-d]carbazol-3-ium chloride
| Molecular Formula | C21H25ClN2O |
|---|---|
| Molecular Weight | 356.16553 g/mol |
| LogP | 0.3957 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.16553 |
| Monoisotopic Mass | 356.16553 |
| Heavy Atoms | 25 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 1876-64-8 |
|---|---|
| SMILES | CC[N+]12CCC34[C@@H]1C[C@@H](C(=CC)C2)C(=C3NC5=CC=CC=C45)C=O.[Cl-] |
| InChIKey | IQOMMFCSCAXHDF-FYXHKDPLSA-N |
Product Overview
4-Ethyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1) (CAS 1876-64-8), with molecular formula C21H25ClN2O and molecular weight 356.16553 g/mol. IUPAC: (11S,17S)-14-ethyl-12-ethylidene-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde chloride.
4-Ethyl-1,2-didehydrocura-16,19-dien-4-ium-17-olate--hydrogen chloride (1/1) is a custom synthesis product. We offer services from milligram to kilogram scale.
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