Formoterol Hemifumarate - ≥99% , CAS No.43229-80-7

CAS: 43229-80-7 Cat. No.: F129812 Peso molecular: 402.4 Número EC: 610-119-5 PubChem CID: 9832292

GRADE & PURITY ≥99%

Synonyms

YM 08316 | HMS3267L10 | HMS3676B17 | SR-01000872712 | F0881 | Formoterol hemifumarate | HMS3412B17 | N-(2-hydroxy-5-((S)-1-hydroxy-2-((S)-1- | SW199659-2 | (+/-)-(R,R)-N-[2-Hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl] for

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Formoterol Hemifumarate is a potent, selective and long-acting β2-adrenoceptor agonist to β2 and β1 receptors with pKd of 8.12 and 5.58, respectively.
A potent β2-AR agonist.

Specifications

Sinónimos

YM 08316 | HMS3267L10 | HMS3676B17 | SR-01000872712 | F0881 | Formoterol hemifumarate | HMS3412B17 | N-(2-hydroxy-5-((S)-1-hydroxy-2-((S)-1- | SW199659-2 | (+/-)-(R, R)-N-[2-Hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl] for

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Formoterol Fumarate is shown to be a potent β-AR adrenoceptor agonist, with a fast onset of effect on the isolated human bronchus model. This compound demonstrates a 330-fold selectivity for β2 over β1 receptors. Formoterol Fumarate has been reported to b

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.C(=CC(=O)O)C(=O)O
• IUPAC Name: (E)-but-2-enedioic acid;N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
• InChIKey: OBRNDARFFFHCGE-PERKLWIXSA-N
• INCHI: 1S/2C19H24N2O4.C4H4O4/c2*1-13(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;5-3(6)1-2-4(7)8/h2*3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*13-,19+;/m00./s1
• Isómeros SMILES: C[C@@H](CC1=CC=C(C=C1)OC)NC[C@H](C2=CC(=C(C=C2)O)NC=O)O.C[C@@H](CC1=CC=C(C=C1)OC)NC[C@H](C2=CC(=C(C=C2)O)NC=O)O.C(=C/C(=O)O)\C(=O)O
• PubChem CID: 9832292
• Peso molecular: 402.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Anilides Phenylpropanes Phenoxy compounds Anisoles N-arylamides Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Secondary alcohols Amino acids and derivatives Secondary carboxylic acid amides 1,2-aminoalcohols Dialkylamines Carboxylic acids Carbonyl compounds Aromatic alcohols Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Amphetamine or derivatives - Anilide - Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Dicarboxylic acid or derivatives - Fatty acyl - Unsaturated fatty acid - Fatty acid - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - 1,2-aminoalcohol - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Ether - Secondary aliphatic amine - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Aromatic alcohol - Aromatic homomonocyclic compound
• Descripción: 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: fumarate salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO 80 mg/mL Water Ethanol
• Peso molecular: 804.900 g/mol
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 18
• Exact Mass: 804.358 Da
• Monoisotopic Mass: 804.358 Da
• Topological Polar Surface Area: 256.000 Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 507.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 3

XLogP3