≥98% 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.
| Sonrisas canónicas | CCOC1=C(C(=C(C2=C1C(OC2=O)C3C4=C(C5=C(C=C4CCN3C)OCO5)OC)N)OCC)OCC |
|---|---|
| IUPAC Name | 7-amino-4,5,6-triethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one |
| InChIKey | IRGJVQIJENCTQF-UHFFFAOYSA-N |
| INCHI | 1S/C26H32N2O8/c1-6-31-23-17-16(18(27)24(32-7-2)25(23)33-8-3)26(29)36-21(17)19-15-13(9-10-28(19)4)11-14-20(22(15)30-5)35-12-34-14/h11,19,21H,6-10,12,27H2,1-5H3 |
| Isómeros SMILES | CCOC1=C(C(=C(C2=C1C(OC2=O)C3C4=C(C5=C(C=C4CCN3C)OCO5)OC)N)OCC)OCC |
| CAS alternativo | 14504-73-5 |
| PubChem CID | 72145 |
| Términos de entrada MeSH | 4,5,6-triethoxy-7-amino-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)phthalide;554 L;Hypostamine;Inhibostamin;tritoqualin;tritoqualine |
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 |
| Clase | Phthalide isoquinolines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phthalide isoquinolines |
| Alternative Parents | Gallic acid and derivatives Tetrahydroisoquinolines Phthalides Benzofuranones Benzodioxoles Anisoles Alkyl aryl ethers Aralkylamines Vinylogous amides Trialkylamines Amino acids and derivatives Lactones Carboxylic acid esters Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalide isoquinoline - Gallic acid or derivatives - Benzofuranone - Isobenzofuranone - Phthalide - Tetrahydroisoquinoline - Benzodioxole - Isocoumaran - Anisole - Alkyl aryl ether - Aralkylamine - Benzenoid - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Lactone - Carboxylic acid ester - Azacycle - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Primary amine - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phthalide isoquinolines. These are organic compounds with a structure characterized by an isoquinoline moiety linked to phthalide. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Peso molecular | 500.500 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 500.216 Da |
| Monoisotopic Mass | 500.216 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 772.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
