Fenoterol solution - analytical standard, 100 ng/ul in methanol , CAS No.1944-12-3

CAS: 1944-12-3 Cat. No.: F121751 Summenformel: C₁₇H₂₁NO₄·HBr Molekulargewicht: 384.26 EG-Nummer: 217-742-8

GRADE & PURITY Analytical standard, 100 ng/ul in methanol

Synonyms

EU-0100544 | F 1016 | FT-0668501 | REGID_for_CID_5702161 | Fenoterol hydrobromide (JAN) | EINECS 217-742-8 | Tox21_110581 | Fenoterol for peak identification, European Pharmacopoeia (EP) Reference Standard | NCGC00015430-06 | Phenoterol hydrobromide | 5-[

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

EU-0100544 | F 1016 | FT-0668501 | REGID_for_CID_5702161 | Fenoterol hydrobromide (JAN) | EINECS 217-742-8 | Tox21_110581 | Fenoterol for peak identification, European Pharmacopoeia (EP) Reference Standard | NCGC00015430-06 | Phenoterol hydrobromide | 5-[

Spezifikationen & Reinheit

analytical standard, 100 ng/ul in methanol

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528772478

Kanonisches Lächeln

CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O.Br

IUPAC Name

5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol;hydrobromide

InChIKey

SGZRQMALQBXAIQ-UHFFFAOYSA-N

INCHI

1S/C17H21NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,17-22H,6,10H2,1H3;1H

Isomere SMILES

CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O.Br

Molekulargewicht

384.26

Reaxy-Rn

4168199

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4168199&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Phenylpropanes Resorcinols Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Hydrobromides Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - Phenylpropane - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Hydrobromide - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic alcohol - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: 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: hydrobromide

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

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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SLC5A7 Tchem High-affinity choline transporter (1462 Activities)

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Liver microsomes (16955 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 384.300 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 383.073 Da
• Monoisotopic Mass: 383.073 Da
• Topological Polar Surface Area: 93.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 310.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3