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Details

Stereochemistry RACEMIC
Molecular Formula C16H21NO3.ClH
Molecular Weight 311.804
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1'-Oxobufuralol Hydrochloride

SMILES

Cl.CC(=O)C1=C2OC(=CC2=CC=C1)C(O)CNC(C)(C)C

InChI

InChIKey=AJRDATHVMCLZIL-UHFFFAOYSA-N
InChI=1S/C16H21NO3.ClH/c1-10(18)12-7-5-6-11-8-14(20-15(11)12)13(19)9-17-16(2,3)4;/h5-8,13,17,19H,9H2,1-4H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-[2-[2-(tert-butylamino)-1-hydroxyethyl]-1-benzofuran-7-yl]ethanone hydrochloride
Preferred Name English
1'-Oxobufuralol Hydrochloride
Systematic Name English
Ethanone, 1-[2-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-7-benzofuranyl]-, hydrochloride
Systematic Name English
Ethanone, 1-[2-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-7-benzofuranyl]-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80676085
Created by admin on Wed Apr 02 17:17:21 GMT 2025 , Edited by admin on Wed Apr 02 17:17:21 GMT 2025
PRIMARY
PUBCHEM
46782639
Created by admin on Wed Apr 02 17:17:21 GMT 2025 , Edited by admin on Wed Apr 02 17:17:21 GMT 2025
PRIMARY
FDA UNII
UW89RXT9HE
Created by admin on Wed Apr 02 17:17:21 GMT 2025 , Edited by admin on Wed Apr 02 17:17:21 GMT 2025
PRIMARY
CAS
137740-37-5
Created by admin on Wed Apr 02 17:17:21 GMT 2025 , Edited by admin on Wed Apr 02 17:17:21 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of 1?-Oxobufuralol
NIH
NCATS
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