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Details

Stereochemistry ACHIRAL
Molecular Formula C15H14O2
Molecular Weight 226.2705
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-(6-METHOXYNAPHTHALEN-2-YL)BUT-3-EN-2-ONE

SMILES

COC1=CC2=CC=C(\C=C\C(C)=O)C=C2C=C1

InChI

InChIKey=ODKROFHKPKRFPM-ONEGZZNKSA-N
InChI=1S/C15H14O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h3-10H,1-2H3/b4-3+

HIDE SMILES / InChI

Molecular Formula C15H14O2
Molecular Weight 226.2705
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 13:59:25 UTC 2023
Edited
by admin
on Thu Jul 06 13:59:25 UTC 2023
Record UNII
0J1W17F0WZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(6-METHOXYNAPHTHALEN-2-YL)BUT-3-EN-2-ONE
Systematic Name English
1-(6'-METHOXY-2'-NAPHTHYL)-BUT-1-EN-3-ONE, (E)-
Systematic Name English
NABUMETONE RELATED COMPOUND A [USP-RS]
Common Name English
NABUMETONE RELATED COMPOUND A
USP   USP-RS  
Common Name English
3-BUTEN-2-ONE, 4-(6-METHOXY-2-NAPHTHALENYL)-, (E)-
Systematic Name English
NABUMETONE RELATED COMPOUND A [USP IMPURITY]
Common Name English
4-(6-METHOXYNAPHTHALEN-2-YL)BUT-3-EN-2-ONE, (E)-
Systematic Name English
NABUMETONE IMPURITY D [EP IMPURITY]
Common Name English
(E)-4-(6-METHOXYNAPHTHALEN-2-YL)BUT-3-EN-2-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
9859375
Created by admin on Thu Jul 06 13:59:25 UTC 2023 , Edited by admin on Thu Jul 06 13:59:25 UTC 2023
PRIMARY
FDA UNII
0J1W17F0WZ
Created by admin on Thu Jul 06 13:59:25 UTC 2023 , Edited by admin on Thu Jul 06 13:59:25 UTC 2023
PRIMARY
CAS
127053-22-9
Created by admin on Thu Jul 06 13:59:25 UTC 2023 , Edited by admin on Thu Jul 06 13:59:25 UTC 2023
PRIMARY
RS_ITEM_NUM
1449530
Created by admin on Thu Jul 06 13:59:25 UTC 2023 , Edited by admin on Thu Jul 06 13:59:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP