≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
(R)-Nepicastat HCl (RS-25560-198), the R-enantiomer of Nepicastat HCl, is a potent and selective inhibitor with IC50 of 25.1 nM and 18.3 nM for bovine and human dopamine-β-hydroxylase, with negligible affinity for twelve other enzymes and thirteen neurotransmitter receptors.
| Pubchem Sid | 504772242 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772242 |
| Sonrisas canónicas | C1CC2=C(CC1N3C(=CNC3=S)CN)C=C(C=C2F)F.Cl |
| IUPAC Name | 4-(aminomethyl)-3-[(2R)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione;hydrochloride |
| InChIKey | DIPDUAJWNBEVOY-HNCPQSOCSA-N |
| INCHI | 1S/C14H15F2N3S.ClH/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20;/h3,5,7,10H,1-2,4,6,17H2,(H,18,20);1H/t10-;/m1./s1 |
| Isómeros SMILES | C1CC2=C(C[C@@H]1N3C(=CNC3=S)CN)C=C(C=C2F)F.Cl |
| PubChem CID | 72163099 |
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 | Benzenoids |
| Clase | Tetralins |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetralins |
| Alternative Parents | Aralkylamines N-substituted imidazoles Imidazolethiones Aryl fluorides Heteroaromatic compounds Thioureas Azacyclic compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetralin - Aralkylamine - Aryl fluoride - Aryl halide - Imidazole-2-thione - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Thiourea - Azacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Primary amine - Primary aliphatic amine - Hydrochloride - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. |
| External Descriptors | Not available |
| Solubilidad | Soluble in DMSO |
|---|---|
| Peso molecular | 331.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 331.072 Da |
| Monoisotopic Mass | 331.072 Da |
| Topological Polar Surface Area | 73.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 429.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
K2323368