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.
| ALogP | 3.9 |
|---|
| Canonical Smiles | C[C@@H]1CC2=C(NC3=CC(Cl)=C(F)C=C23)[C@]2(N1)C(=O)NC1=C2C=C(Cl)C=C1 |
|---|---|
| IUPAC Name | (3S,3'R)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one |
| InChIKey | CKLPLPZSUQEDRT-YLVJLNSGSA-N |
| INCHI | 1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m1/s1 |
| Isomeric SMILES | C[C@@H]1CC2=C([C@@]3(N1)C4=C(C=CC(=C4)Cl)NC3=O)NC5=CC(=C(C=C25)F)Cl |
| PubChem CID | 44251608 |
| Molecular Weight | 390.2 |
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 | Harmala alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Harmala alkaloids |
| Alternative Parents | Beta carbolines Alpha amino acid amides 3-alkylindoles Indolines Aralkylamines Aryl chlorides Aryl fluorides Benzenoids Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organofluorides Organic oxides Organochlorides Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Harman - Beta-carboline - Pyridoindole - Alpha-amino acid amide - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Dihydroindole - Aralkylamine - Aryl chloride - Benzenoid - Aryl halide - Aryl fluoride - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Lactam - Amino acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole. |
| External Descriptors | Not available |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Molecular Weight | 390.200 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 389.05 Da |
| Monoisotopic Mass | 389.05 Da |
| Topological Polar Surface Area | 56.900 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 609.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
