U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C24H32O
Molecular Weight 336.5112
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BIS(4-(2-METHYLPROPYL)PHENYL)BUTAN-1-ONE

SMILES

CC(C)Cc1ccc(cc1)C(C)CC(=O)c2ccc(cc2)CC(C)C

InChI

InChIKey=QJBUYPFVSVNYDO-UHFFFAOYSA-N
InChI=1S/C24H32O/c1-17(2)14-20-6-10-22(11-7-20)19(5)16-24(25)23-12-8-21(9-13-23)15-18(3)4/h6-13,17-19H,14-16H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C24H32O
Molecular Weight 336.5112
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 04:59:26 UTC 2021
Edited
by admin
on Sat Jun 26 04:59:26 UTC 2021
Record UNII
1RN9913WMJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BIS(4-(2-METHYLPROPYL)PHENYL)BUTAN-1-ONE
Systematic Name English
(3RS)-1,3-BIS(4-(2-METHYLPROPYL)PHENYL)BUTAN-1-ONE
Systematic Name English
IBUPROFEN IMPURITY H [EP]
Common Name English
(+/-)-1,3-BIS(4-(2-METHYLPROPYL)PHENYL)BUTAN-1-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
129011620
Created by admin on Sat Jun 26 04:59:26 UTC 2021 , Edited by admin on Sat Jun 26 04:59:26 UTC 2021
PRIMARY
FDA UNII
1RN9913WMJ
Created by admin on Sat Jun 26 04:59:26 UTC 2021 , Edited by admin on Sat Jun 26 04:59:26 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP