Bedoradrine sulfate , Beta-2 adrenergic receptor agonist, CAS No.194785-31-4, Beta-2 adrenergic receptor agonist

CAS: 194785-31-4 Cat. No.: B671074 Molecular Weight: 955.1

Synonyms

Bedoradrine sulfate | MN 221 | P875C0DV2V | 2-[[(7S)-7-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide;sulfuric acid | Bedoradrine sulphate | DTXSID40433338 | Bis(2-(((7S)-7-

Storage

Room temperature

Specifications

Synonyms

Bedoradrine sulfate | MN 221 | P875C0DV2V | 2-[[(7S)-7-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5, 6, 7, 8-tetrahydronaphthalen-2-yl]oxy]-N, N-dimethylacetamide;sulfuric acid | Bedoradrine sulphate | DTXSID40433338 | Bis(2-(((7S)-7-

Storage

Room temperature

Action Type

AGONIST

Mechanism of action

Beta-2 adrenergic receptor agonist

Names and Identifiers

• Canonical Smiles: CN(C)C(=O)COC1=CC2=C(CCC(C2)NCC(C3=CC(=C(C=C3)O)CCO)O)C=C1.CN(C)C(=O)COC1=CC2=C(CCC(C2)NCC(C3=CC(=C(C=C3)O)CCO)O)C=C1.OS(=O)(=O)O
• IUPAC Name: 2-[[(7S)-7-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide;sulfuric acid
• InChIKey: VPCOODFYDJWLHD-YMZXMBPUSA-N
• INCHI: 1S/2C24H32N2O5.H2O4S/c2*1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27;1-5(2,3)4/h2*4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3;(H2,1,2,3,4)/t2*20-,23-;/m00./s1
• Isomeric SMILES: CN(C)C(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@@H](C3=CC(=C(C=C3)O)CCO)O)C=C1.CN(C)C(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@@H](C3=CC(=C(C=C3)O)CCO)O)C=C1.OS(=O)(=O)O
• Molecular Weight: 955.1
• Reaxy-Rn: 9032944
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9032944&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Organic sulfuric acids Benzene and substituted derivatives Tertiary carboxylic acid amides 1,2-aminoalcohols Amino acids and derivatives Secondary alcohols Dialkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Primary alcohols
• Molecular Framework: Not available
• Substituents: Tetralin - Phenol ether - Sulfuric acid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Aralkylamine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Organic sulfuric acid or derivatives - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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