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Details

Stereochemistry ACHIRAL
Molecular Formula C19H23NO3
Molecular Weight 313.3908
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(BENZYL(TERT-BUTYL)AMINO)-1-(3,5-DIHYDROXYPHENYL)ETHAN-1-ONE

SMILES

CC(C)(C)N(CC(=O)C1=CC(O)=CC(O)=C1)CC2=CC=CC=C2

InChI

InChIKey=KJZOTGCJVSCWKL-UHFFFAOYSA-N
InChI=1S/C19H23NO3/c1-19(2,3)20(12-14-7-5-4-6-8-14)13-18(23)15-9-16(21)11-17(22)10-15/h4-11,21-22H,12-13H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C19H23NO3
Molecular Weight 313.3908
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 Thu Jul 06 20:47:38 UTC 2023
Edited
by admin
on Thu Jul 06 20:47:38 UTC 2023
Record UNII
8Q2Z7AKB6H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(BENZYL(TERT-BUTYL)AMINO)-1-(3,5-DIHYDROXYPHENYL)ETHAN-1-ONE
Systematic Name English
TERBUTALINE RELATED COMPOUND D [USP-RS]
Common Name English
2-(BENZYL-(1,1-DIMETHYLETHYL)AMINO)-1-(3,5-DIHYDROXYPHENYL)ETHANONE
Systematic Name English
ETHANONE, 1-(3,5-DIHYDROXYPHENYL)-2-((1,1-DIMETHYLETHYL)(PHENYLMETHYL)AMINO)-
Systematic Name English
TERBUTALINE SULFATE IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
57356512
Created by admin on Thu Jul 06 20:47:38 UTC 2023 , Edited by admin on Thu Jul 06 20:47:38 UTC 2023
PRIMARY
RS_ITEM_NUM
1643521
Created by admin on Thu Jul 06 20:47:38 UTC 2023 , Edited by admin on Thu Jul 06 20:47:38 UTC 2023
PRIMARY
FDA UNII
8Q2Z7AKB6H
Created by admin on Thu Jul 06 20:47:38 UTC 2023 , Edited by admin on Thu Jul 06 20:47:38 UTC 2023
PRIMARY
CAS
94109-61-2
Created by admin on Thu Jul 06 20:47:38 UTC 2023 , Edited by admin on Thu Jul 06 20:47:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
sum of impurities other than C: not more than twice the area of the principal peak in the chromatogram obtained with reference solution (b) (0.4 per cent)
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP