≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53 |
|---|---|
| IUPAC Name | 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one |
| InChIKey | MUMCCPUVOAUBAN-UHFFFAOYSA-N |
| INCHI | 1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2 |
| Isomeric SMILES | C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53 |
| PubChem CID | 10144 |
| Molecular Weight | 275.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Class | Aporphines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aporphines |
| Alternative Parents | Phenanthrenes and derivatives Benzoquinolines Naphthalenes Isoquinolines and derivatives Benzodioxoles Aryl ketones Pyridines and derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aporphine - Benzoquinoline - Phenanthrene - Isoquinoline - Naphthalene - Quinoline - Benzodioxole - Aryl ketone - Pyridine - Benzenoid - Heteroaromatic compound - Ketone - Azacycle - Oxacycle - Acetal - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. |
| External Descriptors | cyclic ketone - organic heteropentacyclic compound - oxacycle - isoquinoline alkaloid - alkaloid antibiotic |
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| Molecular Weight | 275.260 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 275.058 Da |
| Monoisotopic Mass | 275.058 Da |
| Topological Polar Surface Area | 48.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 453.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
