Formoterol Fumarate Dihydrate - ≥98%(HPLC) , Beta-2 adrenergic receptor agonist, CAS No.183814-30-4, Beta-2 adrenergic receptor agonist

CAS: 183814-30-4 Cat. No.: F136115 Molecular Weight: 420.46 EC Number: 680-657-3 PubChem CID: 9919001

GRADE & PURITY ≥98%(HPLC)

Synonyms

Formoterol fumarate dihydrate|183814-30-4|FORMOTEROL FUMARATE HYDRATE|FORMOTEROL FUMARATE|Foradil (TN)|Foraseq|(E)-but-2-enedioic acid;N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide;dihydrate|Oxeze|CGP 25827A|Forad

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Formoterol fumarate dihydrate | 183814-30-4 | FORMOTEROL FUMARATE HYDRATE | FORMOTEROL FUMARATE | Foradil (TN) | Foraseq | (E)-but-2-enedioic acid;N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide;dihydrate | Oxeze | CGP 25827A | Forad

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Action Type

AGONIST

Mechanism of action

Beta-2 adrenergic receptor agonist

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504765093
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765093
• Canonical Smiles: 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.O.O
• IUPAC Name: (E)-but-2-enedioic acid;N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide;dihydrate
• InChIKey: RATSWNOMCHFQGJ-XODSYJLDSA-N
• INCHI: 1S/2C19H24N2O4.C4H4O4.2H2O/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);2*1H2/b;;2-1+
• Isomeric SMILES: 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(=C/C(=O)O)\C(=O)O.O.O
• WGK Germany: 3
• PubChem CID: 9919001
• Molecular Weight: 420.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Phenylpropanes Anilides Phenoxy compounds N-arylamides Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Aromatic alcohols
• 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 - Fatty acid - Unsaturated fatty acid - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - 1,2-aminoalcohol - Secondary amine - Carboxylic acid derivative - Ether - Secondary aliphatic amine - Carboxylic acid - Aromatic alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Amine - 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

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 840.900 g/mol
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 18
• Exact Mass: 840.379 Da
• Monoisotopic Mass: 840.379 Da
• Topological Polar Surface Area: 258.000 Ų
• Heavy Atom Count: 60
• Formal Charge: 0
• Complexity: 507.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 5

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