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.
Benafentrine inhibits blood platelet aggregation.
| Sorrisos canónicos | CC(=O)NC1=CC=C(C=C1)C2=NC3CCN(CC3C4=CC(=C(C=C42)OC)OC)C |
|---|---|
| IUPAC Name | N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]acetamide |
| InChIKey | DCDXHGMCXGHXBM-PMACEKPBSA-N |
| INCHI | 1S/C23H27N3O3/c1-14(27)24-16-7-5-15(6-8-16)23-18-12-22(29-4)21(28-3)11-17(18)19-13-26(2)10-9-20(19)25-23/h5-8,11-12,19-20H,9-10,13H2,1-4H3,(H,24,27)/t19-,20-/m0/s1 |
| SMILES isoméricas | CC(=O)NC1=CC=C(C=C1)C2=N[C@H]3CCN(C[C@H]3C4=CC(=C(C=C42)OC)OC)C |
| Peso molecular | 393.48 |
| Reaxy-Rn | 8167616 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8167616&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 |
| Classe | Diazanaphthalenes |
| Subclass | Naphthyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthyridines |
| Alternative Parents | Acetanilides Dihydroisoquinolines N-acetylarylamines Anisoles Aralkylamines Alkyl aryl ethers Piperidines Acetamides Ketimines Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Acetanilide - Dihydroisoquinoline - Naphthyridine - N-acetylarylamine - Anilide - Anisole - Phenol ether - N-arylamide - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Piperidine - Acetamide - Amino acid or derivatives - Carboxamide group - Ketimine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Organic 1,3-dipolar compound - Ether - Azacycle - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Imine - Amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. |
| External Descriptors | Not available |
| Peso molecular | 393.500 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 393.205 Da |
| Monoisotopic Mass | 393.205 Da |
| Topological Polar Surface Area | 63.200 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 616.000 |
| 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 |
