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

Details

Stereochemistry RACEMIC
Molecular Formula C26H32O4
Molecular Weight 408.5309
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(2-METHYLPROPYL)-1-(4-(2-METHYLPROPYL)PHENYL)-1,2,3,4-TETRAHYDRONAPHTHALENE-1,4-DICARBOXYLIC ACID

SMILES

CC(C)Cc1ccc(cc1)[C@@]2(CC[C@]([H])(c3ccc(CC(C)C)cc32)C(=O)O)C(=O)O

InChI

InChIKey=GXFQAIUKHDCTMF-ATIYNZHBSA-N
InChI=1S/C26H32O4/c1-16(2)13-18-5-8-20(9-6-18)26(25(29)30)12-11-22(24(27)28)21-10-7-19(14-17(3)4)15-23(21)26/h5-10,15-17,22H,11-14H2,1-4H3,(H,27,28)(H,29,30)/t22-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H32O4
Molecular Weight 408.5309
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:21:10 UTC 2021
Edited
by admin
on Sat Jun 26 12:21:10 UTC 2021
Record UNII
YH5RAY1N4B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(2-METHYLPROPYL)-1-(4-(2-METHYLPROPYL)PHENYL)-1,2,3,4-TETRAHYDRONAPHTHALENE-1,4-DICARBOXYLIC ACID
Systematic Name English
(1RS,4RS)-7-(2-METHYLPROPYL)-1-(4-(2-METHYLPROPYL)PHENYL)-1,2,3,4-TETRAHYDRONAPHTHALENE-1,4-DICARBOXYLIC ACID
Systematic Name English
1,4-NAPHTHALENEDICARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-7-(2-METHYLPROPYL)-1-(4-(2-METHYLPROPYL)PHENYL)-
Common Name English
IBUPROFEN IMPURITY G [EP]
Common Name English
Code System Code Type Description
FDA UNII
YH5RAY1N4B
Created by admin on Sat Jun 26 12:21:10 UTC 2021 , Edited by admin on Sat Jun 26 12:21:10 UTC 2021
PRIMARY
PUBCHEM
71588000
Created by admin on Sat Jun 26 12:21:10 UTC 2021 , Edited by admin on Sat Jun 26 12:21:10 UTC 2021
PRIMARY
CAS
1391054-15-1
Created by admin on Sat Jun 26 12:21:10 UTC 2021 , Edited by admin on Sat Jun 26 12:21:10 UTC 2021
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP