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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28N2O2
Molecular Weight 352.4699
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BREFONALOL, (R)-

SMILES

CC(C)(CCC1=CC=CC=C1)NC[C@H](O)C2=CC3=C(NC(=O)CC3)C=C2

InChI

InChIKey=YYUZPBGIBVJYSI-FQEVSTJZSA-N
InChI=1S/C22H28N2O2/c1-22(2,13-12-16-6-4-3-5-7-16)23-15-20(25)18-8-10-19-17(14-18)9-11-21(26)24-19/h3-8,10,14,20,23,25H,9,11-13,15H2,1-2H3,(H,24,26)/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H28N2O2
Molecular Weight 352.4699
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 Sat Dec 16 10:27:03 GMT 2023
Edited
by admin
on Sat Dec 16 10:27:03 GMT 2023
Record UNII
4856TKA3LY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BREFONALOL, (R)-
Common Name English
2(1H)-QUINOLINONE, 6-(2-((1,1-DIMETHYL-3-PHENYLPROPYL)AMINO)-1-HYDROXYETHYL)-3,4-DIHYDRO-, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
4856TKA3LY
Created by admin on Sat Dec 16 10:27:03 GMT 2023 , Edited by admin on Sat Dec 16 10:27:03 GMT 2023
PRIMARY
CAS
154279-24-0
Created by admin on Sat Dec 16 10:27:03 GMT 2023 , Edited by admin on Sat Dec 16 10:27:03 GMT 2023
PRIMARY
PUBCHEM
76970877
Created by admin on Sat Dec 16 10:27:03 GMT 2023 , Edited by admin on Sat Dec 16 10:27:03 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER