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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H20N2O2
Molecular Weight 248.3208
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUNITROLOL, (S)-

SMILES

CC(C)(C)NC[C@H](O)COC1=CC=CC=C1C#N

InChI

InChIKey=VCVQSRCYSKKPBA-LBPRGKRZSA-N
InChI=1S/C14H20N2O2/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15/h4-7,12,16-17H,9-10H2,1-3H3/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H20N2O2
Molecular Weight 248.3208
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:57:23 GMT 2025
Edited
by admin
on Mon Mar 31 21:57:23 GMT 2025
Record UNII
690AM71KOR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-BUNITROLOL
Preferred Name English
BUNITROLOL, (S)-
Common Name English
BENZONITRILE, 2-((2S)-3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-
Systematic Name English
(S)-BUNITROLOL
Common Name English
Code System Code Type Description
CAS
59995-59-4
Created by admin on Mon Mar 31 21:57:23 GMT 2025 , Edited by admin on Mon Mar 31 21:57:23 GMT 2025
PRIMARY
PUBCHEM
12179891
Created by admin on Mon Mar 31 21:57:23 GMT 2025 , Edited by admin on Mon Mar 31 21:57:23 GMT 2025
PRIMARY
FDA UNII
690AM71KOR
Created by admin on Mon Mar 31 21:57:23 GMT 2025 , Edited by admin on Mon Mar 31 21:57:23 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER