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Details

Stereochemistry RACEMIC
Molecular Formula C16H21NO3
Molecular Weight 275.3428
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1?-Oxobufuralol

SMILES

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

InChI

InChIKey=UJFKLSLVTSFAQN-UHFFFAOYSA-N
InChI=1S/C16H21NO3/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

HIDE SMILES / InChI

Molecular Formula C16H21NO3
Molecular Weight 275.3428
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:56:55 GMT 2025
Edited
by admin
on Wed Apr 02 17:56:55 GMT 2025
Record UNII
CJ9B9U6JJQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ro-03-7928
Preferred Name English
1?-Oxobufuralol
Common Name English
1-[2-[2-[(1,1-Dimethylethyl)amino]-1-hydroxyethyl]-7-benzofuranyl]ethanone
Systematic Name English
1-{2-[2-(tert-butylamino)-1-hydroxyethyl]-1-benzofuran-7-yl}ethan-1-one
Systematic Name English
Ethanone, 1-[2-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-7-benzofuranyl]-
Systematic Name English
Code System Code Type Description
CAS
59664-01-6
Created by admin on Wed Apr 02 17:56:55 GMT 2025 , Edited by admin on Wed Apr 02 17:56:55 GMT 2025
PRIMARY
FDA UNII
CJ9B9U6JJQ
Created by admin on Wed Apr 02 17:56:55 GMT 2025 , Edited by admin on Wed Apr 02 17:56:55 GMT 2025
PRIMARY
PUBCHEM
134863
Created by admin on Wed Apr 02 17:56:55 GMT 2025 , Edited by admin on Wed Apr 02 17:56:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID00975062
Created by admin on Wed Apr 02 17:56:55 GMT 2025 , Edited by admin on Wed Apr 02 17:56:55 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE