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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, (R)-

SMILES

CC(C)(C)NC[C@@H](O)COC1=C(C=CC=C1)C#N

InChI

InChIKey=VCVQSRCYSKKPBA-GFCCVEGCSA-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-/m1/s1

HIDE SMILES / InChI

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

Approval Year

Substance Class Chemical
Record UNII
Z3894G84FU
Record Status Validated (UNII)
Record Version