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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H20N2O2.ClH
Molecular Weight 284.782
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUNITROLOL HYDROCHLORIDE, (R)-

SMILES

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

InChI

InChIKey=RJPWESHPIMRNNM-UTONKHPSSA-N
InChI=1S/C14H20N2O2.ClH/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;1H/t12-;/m1./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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:36:07 GMT 2023
Edited
by admin
on Sat Dec 16 01:36:07 GMT 2023
Record UNII
32TC7IYE6H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUNITROLOL HYDROCHLORIDE, (R)-
Common Name English
BENZONITRILE, 2-((2R)-3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-, HYDROCHLORIDE (1:1)
Systematic Name English
(+)-BUNITROLOL HYDROCHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
76967522
Created by admin on Sat Dec 16 01:36:07 GMT 2023 , Edited by admin on Sat Dec 16 01:36:07 GMT 2023
PRIMARY
CAS
22972-95-8
Created by admin on Sat Dec 16 01:36:07 GMT 2023 , Edited by admin on Sat Dec 16 01:36:07 GMT 2023
PRIMARY
FDA UNII
32TC7IYE6H
Created by admin on Sat Dec 16 01:36:07 GMT 2023 , Edited by admin on Sat Dec 16 01:36:07 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER