U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
139594
Name Type Language
1'-Oxobufuralol Hydrochloride
Systematic Name English
1-[2-[2-(tert-butylamino)-1-hydroxyethyl]-1-benzofuran-7-yl]ethanone 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
PUBCHEM
46782639
Created by admin on Sat Dec 16 19:47:37 GMT 2023 , Edited by admin on Sat Dec 16 19:47:37 GMT 2023
PRIMARY
FDA UNII
UW89RXT9HE
Created by admin on Sat Dec 16 19:47:37 GMT 2023 , Edited by admin on Sat Dec 16 19:47:37 GMT 2023
PRIMARY
CAS
137740-37-5
Created by admin on Sat Dec 16 19:47:37 GMT 2023 , Edited by admin on Sat Dec 16 19:47:37 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966