Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-] |
|---|---|
| IUPAC Name | 24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene;chloride |
| InChIKey | GIZKAXHWLRYMLE-UHFFFAOYSA-M |
| INCHI | 1S/C20H14NO4.ClH/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21;/h2-8H,9-10H2,1H3;1H/q+1;/p-1 |
| Isomeric SMILES | C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-] |
| Alternate CAS | 2447-54-3;1099738-80-3 |
| PubChem CID | 68635 |
| Molecular Weight | 367.78(anhydrous basis) |
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 | Benzophenanthridine alkaloids |
| Subclass | Quaternary benzophenanthridine alkaloids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quaternary benzophenanthridine alkaloids |
| Alternative Parents | Phenanthridines and derivatives Naphthalenes Isoquinolines and derivatives Benzodioxoles Pyridinium derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quaternary benzophenanthridine alkaloid skeleton - Benzoquinoline - Phenanthridine - Isoquinoline - Naphthalene - Quinoline - Benzodioxole - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic chloride salt - Organic oxygen compound - Organic salt - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quaternary benzophenanthridine alkaloids. These are alkaloids containing a quaternary N-demethylbenzophenanthridine skeleton, where the nitrogen atom of the phenanthridine moiety is part of four bonds. |
| External Descriptors | Not available |
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| Melt Point(°C) | 277-280°C |
|---|---|
| Molecular Weight | 367.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 367.061 Da |
| Monoisotopic Mass | 367.061 Da |
| Topological Polar Surface Area | 40.800 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 530.000 |
| 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 | 2 |
| 1. Zhuo Zhu, Mingkun Yang, Guang Yang, Bei Zhang, Xiaohong Cao, Jun Yuan, Feng Ge, Shihua Wang. (2023) PP2C phosphatases Ptc1 and Ptc2 dephosphorylate PGK1 to regulate autophagy and aflatoxin synthesis in the pathogenic fungus Aspergillus flavus. mBio, [PMID:37754565] [10.1128/mbio.00977-23] |
| 2. Ting Li, Shaojiao Song, Wei Lu, Yu Cao, Xin Zheng, Qiuyue Zhao, Hailong Wang. (2025) Nanopore characterization of DNA–COR–DNA duplex and the sensitive detection of coralyne. SENSORS AND ACTUATORS B-CHEMICAL, [PMID:] [10.1016/j.snb.2025.137407] |