analytical standard,100 μg/mL in acetonitrile Standard analitico for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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.
| Sorrisi canonici | CCN(CC)C(=O)C1CN(C2CC3(C4=C(C2=C1)C=CC=C4NC3=O)O)C |
|---|---|
| IUPAC Name | (6aR,9R)-N,N-diethyl-5a-hydroxy-7-methyl-5-oxo-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
| InChIKey | YSZSHHCNLVHCNV-VRORWYBRSA-N |
| INCHI | 1S/C20H25N3O3/c1-4-23(5-2)18(24)12-9-14-13-7-6-8-15-17(13)20(26,19(25)21-15)10-16(14)22(3)11-12/h6-9,12,16,26H,4-5,10-11H2,1-3H3,(H,21,25)/t12-,16-,20?/m1/s1 |
| Isomeri SMILES | CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3(C4=C(C2=C1)C=CC=C4NC3=O)O)C |
| PubChem CID | 10155149 |
| Peso molecolare | 355.43 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Classe | Ergoline and derivatives |
| Subclass | Lysergic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Lysergic acids and derivatives |
| Alternative Parents | 6,7-secoergolines Benzoquinolines Quinoline-3-carboxamides Tetralins Isoindolones Indolines Aralkylamines Tertiary carboxylic acid amides Tertiary alcohols Lactams Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Lysergic acid or derivatives - 6,7-secoergoline - Benzoquinoline - Quinoline-3-carboxamide - Isoindolone - Tetralin - Quinoline - Indole or derivatives - Dihydroindole - Isoindole or derivatives - Aralkylamine - Benzenoid - Tertiary carboxylic acid amide - Tertiary alcohol - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton. |
| External Descriptors | Not available |
| Peso molecolare | 355.400 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 355.19 Da |
| Monoisotopic Mass | 355.19 Da |
| Topological Polar Surface Area | 72.900 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 644.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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