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Details

Stereochemistry RACEMIC
Molecular Formula C19H31NO2
Molecular Weight 305.4549
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ibuprofen Trelamine

SMILES

CCN(CC)CCOC(=O)C(C)C1=CC=C(CC(C)C)C=C1

InChI

InChIKey=LMNZWAJFILAFEC-UHFFFAOYSA-N
InChI=1S/C19H31NO2/c1-6-20(7-2)12-13-22-19(21)16(5)18-10-8-17(9-11-18)14-15(3)4/h8-11,15-16H,6-7,12-14H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C19H31NO2
Molecular Weight 305.4549
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 Dec 16 12:34:51 UTC 2023
Edited
by admin
on Sat Dec 16 12:34:51 UTC 2023
Record UNII
1XK9426FK2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ibuprofen Trelamine
USAN  
Official Name English
IBUPROFEN DIETHYLAMINOETHYL ESTER
Common Name English
X-0002 FREE BASE
Code English
X0002 FREE BASE
Code English
IBUPROFEN TRELAMINE [USAN]
Common Name English
Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, 2-(diethylamino)ethyl ester
Systematic Name English
2-(Diethylamino)ethyl 2-(4-isobutylphenyl)propanoate
Systematic Name English
DIETHYLAMINOETHYL IBUPROFEN
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40983227
Created by admin on Sat Dec 16 12:34:51 UTC 2023 , Edited by admin on Sat Dec 16 12:34:51 UTC 2023
PRIMARY
USAN
LM-75
Created by admin on Sat Dec 16 12:34:51 UTC 2023 , Edited by admin on Sat Dec 16 12:34:51 UTC 2023
PRIMARY
PUBCHEM
127633
Created by admin on Sat Dec 16 12:34:51 UTC 2023 , Edited by admin on Sat Dec 16 12:34:51 UTC 2023
PRIMARY
CAS
64622-41-9
Created by admin on Sat Dec 16 12:34:51 UTC 2023 , Edited by admin on Sat Dec 16 12:34:51 UTC 2023
PRIMARY
FDA UNII
1XK9426FK2
Created by admin on Sat Dec 16 12:34:51 UTC 2023 , Edited by admin on Sat Dec 16 12:34:51 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY