60398-91-6,MFCD00272648
Catalog No.:AA00EEZ4

60398-91-6 | (±)-alpha-[[(tert-butyl)amino]methyl]-7-ethyl-2-benzofuranmethanol hydrochloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$116.00   $81.00
- +
5mg
≥95%
in stock  
$509.00   $356.00
- +
10mg
≥95%
in stock  
$722.00   $505.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EEZ4
Chemical Name:
(±)-alpha-[[(tert-butyl)amino]methyl]-7-ethyl-2-benzofuranmethanol hydrochloride
CAS Number:
60398-91-6
Molecular Formula:
C16H24ClNO2
Molecular Weight:
297.8203
MDL Number:
MFCD00272648
SMILES:
CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O.Cl
Properties
Computed Properties
 
Complexity:
287  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  

Literature

Title: T H Pringle, et al. Pharmacodynamic and pharmacokinetic studies on bufuralol in man. Br J Clin Pharmacol. 1986 Nov;22(5):527-34.

Title: Jie Cai, et al. Effects of 22 Novel CYP2D6 Variants Found in the Chinese Population on the Bufuralol and Dextromethorphan Metabolisms In Vitro. Basic Clin Pharmacol Toxicol. 2016 Mar;118(3):190-9.

Title: Sarah M Glass, et al. CYP2D6 Allelic Variants *34, *17-2, *17-3, and *53 and a Thr309Ala Mutant Display Altered Kinetics and NADPH Coupling in Metabolism of Bufuralol and Dextromethorphan and Altered Susceptibility to Inactivation by SCH 66712. Drug Metab Dispos. 2018 Aug;46(8):1106-1117.

Title: T Prueksaritanont, et al. (+)-bufuralol 1'-hydroxylation activity in human and rhesus monkey intestine and liver. Biochem Pharmacol. 1995 Oct 26;50(9):1521-5.

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SDS
Tags:60398-91-6 Molecular Formula|60398-91-6 MDL|60398-91-6 SMILES|60398-91-6 (±)-alpha-[[(tert-butyl)amino]methyl]-7-ethyl-2-benzofuranmethanol hydrochloride
Catalog No.: AA00EEZ4
60398-91-6,MFCD00272648
60398-91-6 | (±)-alpha-[[(tert-butyl)amino]methyl]-7-ethyl-2-benzofuranmethanol hydrochloride
Pack Size: 1mg
Purity: ≥95%
in stock
$116.00 $81.00
Pack Size: 5mg
Purity: ≥95%
in stock
$509.00 $356.00
Pack Size: 10mg
Purity: ≥95%
in stock
$722.00 $505.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00EEZ4
Chemical Name: (±)-alpha-[[(tert-butyl)amino]methyl]-7-ethyl-2-benzofuranmethanol hydrochloride
CAS Number: 60398-91-6
Molecular Formula: C16H24ClNO2
Molecular Weight: 297.8203
MDL Number: MFCD00272648
SMILES: CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O.Cl
Properties
Complexity: 287  
Covalently-Bonded Unit Count: 2  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
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