Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated Ships Normal 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.
| Sonrisas canónicas | CCC1=C2C3=CC(=C(C=C3NC2=CN=C1C(=O)OC)OC)OC.Cl |
|---|---|
| IUPAC Name | methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride |
| InChIKey | FHCRBVQGMZUJKY-UHFFFAOYSA-N |
| INCHI | 1S/C17H18N2O4.ClH/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4;/h6-8,19H,5H2,1-4H3;1H |
| Isómeros SMILES | CCC1=C2C3=CC(=C(C=C3NC2=CN=C1C(=O)OC)OC)OC.Cl |
| Peso molecular | 350.8 |
| Reaxy-Rn | 26280327 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26280327&ln= |
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 | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Pyridoindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Beta carbolines |
| Alternative Parents | Pyridinecarboxylic acids Indoles Anisoles Alkyl aryl ethers Pyrroles Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Beta-carboline - Indole - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Pyridine - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrochloride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubilidad | Solvent:water, Max Conc. mg/mL: 31.43, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 7.02, Max Conc. mM: 20 |
|---|---|
| Peso molecular | 350.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 350.103 Da |
| Monoisotopic Mass | 350.103 Da |
| Topological Polar Surface Area | 73.400 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 433.000 |
| 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 |