Product Description：
Arformoterol Tartrate is the tartrate salt of arformoterol, a long-acting beta-2 adrenergic agonist with bronchodilator activity.
| Canonical Smiles | CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.C(C(C(=O)O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | (2R,3R)-2,3-dihydroxybutanedioic acid;N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide |
| InChIKey | FCSXYHUNDAXDRH-OKMNHOJOSA-N |
| INCHI | 1S/C19H24N2O4.C4H6O6/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-1(3(7)8)2(6)4(9)10/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2,5-6H,(H,7,8)(H,9,10)/t13-,19+;1-,2-/m11/s1 |
| Isomeric SMILES | C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=CC(=C(C=C2)O)NC=O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| PubChem CID | 9827062 |
| Molecular Weight | 494.49 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Amphetamines and derivatives |
| Alternative Parents | Anilides Phenylpropanes Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Short-chain hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Sugar acids and derivatives Aralkylamines Beta hydroxy acids and derivatives Monosaccharides Alpha hydroxy acids and derivatives Fatty acids and conjugates Dicarboxylic acids and derivatives 1,2-aminoalcohols 1,2-diols Amino acids and derivatives Secondary alcohols Secondary carboxylic acid amides Carboxylic acids Dialkylamines Organic oxides Aromatic alcohols Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Amphetamine or derivatives - Phenylpropane - Anilide - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Phenol - Short-chain hydroxy acid - Sugar acid - Aralkylamine - Fatty acid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - 1,2-diol - Carboxamide group - 1,2-aminoalcohol - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Ether - Secondary amine - Amine - Carbonyl group - Alcohol - Aromatic alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine. |
| External Descriptors | Not available |
| Molecular Weight | 494.500 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 11 |
| Exact Mass | 494.19 Da |
| Monoisotopic Mass | 494.19 Da |
| Topological Polar Surface Area | 206.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 521.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |
