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Details

Stereochemistry ACHIRAL
Molecular Formula C18H21NO3
Molecular Weight 299.3642
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-HYDROXY-4-(2-METHYLPROPOXY)PHENYL)-3-(2-PYRIDINYL)-1-PROPANONE

SMILES

CC(C)COC1=CC=C(C(=O)CCC2=CC=CC=N2)C(O)=C1

InChI

InChIKey=ANKJXSOMEJINDX-UHFFFAOYSA-N
InChI=1S/C18H21NO3/c1-13(2)12-22-15-7-8-16(18(21)11-15)17(20)9-6-14-5-3-4-10-19-14/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H21NO3
Molecular Weight 299.3642
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 Tue Apr 01 20:27:20 GMT 2025
Edited
by admin
on Tue Apr 01 20:27:20 GMT 2025
Record UNII
RS9W0RR7AN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-HYDROXY-4-(2-METHYLPROPOXY)PHENYL)-3-(2-PYRIDINYL)-1-PROPANONE
Systematic Name English
FEMA NO. 4722
Preferred Name English
1-PROPANONE, 1-(2-HYDROXY-4-(2-METHYLPROPOXY)PHENYL)-3-(2-PYRIDINYL)-
Systematic Name English
1-(2-HYDROXY-4-ISOBUTOXYPHENYL)-3-(PYRIDIN-2-YL)PROPAN-1-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
49869550
Created by admin on Tue Apr 01 20:27:20 GMT 2025 , Edited by admin on Tue Apr 01 20:27:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID701019568
Created by admin on Tue Apr 01 20:27:20 GMT 2025 , Edited by admin on Tue Apr 01 20:27:20 GMT 2025
PRIMARY
JECFA MONOGRAPH
2135
Created by admin on Tue Apr 01 20:27:20 GMT 2025 , Edited by admin on Tue Apr 01 20:27:20 GMT 2025
PRIMARY
CAS
1190230-47-7
Created by admin on Tue Apr 01 20:27:20 GMT 2025 , Edited by admin on Tue Apr 01 20:27:20 GMT 2025
PRIMARY
FDA UNII
RS9W0RR7AN
Created by admin on Tue Apr 01 20:27:20 GMT 2025 , Edited by admin on Tue Apr 01 20:27:20 GMT 2025
PRIMARY