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1′-Hydroxy Bufuralol-d9 (Mixture of Diastereomers) , CAS No.1185069-74-2
a metabolite of Bufuralol
Basic Description
Synonyms | 1185069-74-2|1'-Hydroxy bufuralol-d9|2-[[1,1,1,3,3,3-Hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol|1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]-2-{[2-(?H?)methyl(1,1,1,3,3,3-?H?)propan-2-yl]amino}ethan-1- |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Product Description | 1'-Hydroxy Bufuralol-d9 (Mixture of Diastereomers) is a metabolite of Bufuralol which is a β-Adrenergic blocker with peripheral vasodilating activity. |
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Names and Identifiers
IUPAC Name | 2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol |
INCHI | InChI=1S/C16H23NO3/c1-10(18)12-7-5-6-11-8-14(20-15(11)12)13(19)9-17-16(2,3)4/h5-8,10,13,17-19H,9H2,1-4H3/i2D3,3D3,4D3 |
InChi Key | GTYMTYBCXVOBBB-WVZRYRIDSA-N |
Canonical SMILES | CC(C1=CC=CC2=C1OC(=C2)C(CNC(C)(C)C)O)O |
Isomeric SMILES | [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC2=C(O1)C(=CC=C2)C(C)O)O |
PubChem CID | 45039415 |
Molecular Weight | 286.41 |
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Chemical and Physical Properties
Solubility | Soluble in Chloroform, Dichloromethane, Ether and Methanol |
Melt Point(°C) | 36-38° C |
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