≥97% 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.
NAS181 is a potent and selective antagonist of rat 5-HT1B receptor, with a Ki of 47 nM. NAS181 shows 13-fold selectivity for r5-HT1B over bovine 5-HT1B receptor (Ki=630 nM). NAS181 increases the 5-HT turnover and the synaptic concentration of 5-HT by inhibiting terminal r5-HT1B autoreceptors.
| Canonical Smiles | CS(=O)(=O)O.CS(=O)(=O)O.C1COC(CN1)COC2=CC=CC3=C2OCC(=C3)CN4CCOCC4 |
|---|---|
| IUPAC Name | methanesulfonic acid;(2R)-2-[[3-(morpholin-4-ylmethyl)-2H-chromen-8-yl]oxymethyl]morpholine |
| InChIKey | WMRMIRRDPBKNMY-ZEECNFPPSA-N |
| INCHI | 1S/C19H26N2O4.2CH4O3S/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17;2*1-5(2,3)4/h1-3,10,17,20H,4-9,11-14H2;2*1H3,(H,2,3,4)/t17-;;/m1../s1 |
| Isomeric SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CO[C@H](CN1)COC2=CC=CC3=C2OCC(=C3)CN4CCOCC4 |
| PubChem CID | 45073445 |
| Molecular Weight | 538.63 |
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 |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzopyrans |
| Alternative Parents | Phenol ethers Alkyl aryl ethers Morpholines Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Trialkylamines Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | 1-benzopyran - Phenol ether - Alkyl aryl ether - Morpholine - Oxazinane - Benzenoid - Methanesulfonate - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. |
| External Descriptors | Not available |
| Solubility | Solvent:water, Max Conc. mg/mL: 53.86, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 53.86, Max Conc. mM: 100 |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 538.600 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 5 |
| Exact Mass | 538.165 Da |
| Monoisotopic Mass | 538.165 Da |
| Topological Polar Surface Area | 178.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 545.000 |
| 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 | 3 |
