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Mabuterol hydrochloride - analytical standard, high purity , CAS No.54240-36-7

COA

Grade & Purity:

analytical standard

Cas Number: 54240-36-7
Molecular Weight: 347.2
MDL number: MFCD00941398
PubChem CID: 6917754

In stock

Item Number

M114252

Grouped product items
SKU	Size	Availability	Price	Qty
M114252-10mg	10mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$550.90

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Class A GPCR (4138)

Basic Description

Synonyms	mabuterol hydrochloride \| 54240-36-7 \| Broncholin \| Mabuterolhydrochloride \| Mabuterol HCl \| DTXSID3046798 \| 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride \| PB-868 \| Mabuterol hydrochloride (JAN) \| Mabuterol hydrochloride [JAN] \| DTX
Specifications & Purity	analytical standard
Shipped In	Normal
Grade	analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Trifluoromethylbenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Aniline and substituted anilines Aralkylamines Chlorobenzenes Aryl chlorides Secondary alcohols 1,2-aminoalcohols Dialkylamines Hydrocarbon derivatives Organic chloride salts Organic zwitterions Organochlorides Aromatic alcohols Organofluorides Organopnictogen compounds Alkyl fluorides Primary amines
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic chloride salt - Aromatic alcohol - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Alcohol - Organopnictogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors	Not available
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride
INCHI	InChI=1S/C13H18ClF3N2O.ClH/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7;/h4-5,10,19-20H,6,18H2,1-3H3;1H
InChIKey	MMCDXJOMPMIKGP-UHFFFAOYSA-N
Smiles	CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O.Cl
Isomeric SMILES	CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O.Cl
WGK Germany	3
Molecular Weight	347.2
Reaxy-Rn	6285857
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6285857&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
E2227461	Certificate of Analysis	Mar 19, 2024	M114252
F1912232	Certificate of Analysis	Jan 04, 2023	M114252

Chemical and Physical Properties

Molecular Weight	347.200 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	346.083 Da
Monoisotopic Mass	346.083 Da
Topological Polar Surface Area	58.300 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	320.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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