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Details

Stereochemistry RACEMIC
Molecular Formula C25H33ClN2O2.ClH
Molecular Weight 465.456
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOBUPROFEN HYDROCHLORIDE

SMILES

Cl.CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCCN2CCN(CC2)C3=CC=CC(Cl)=C3

InChI

InChIKey=JVENDESVMMLQIH-UHFFFAOYSA-N
InChI=1S/C25H33ClN2O2.ClH/c1-19(2)17-21-7-9-22(10-8-21)20(3)25(29)30-16-15-27-11-13-28(14-12-27)24-6-4-5-23(26)18-24;/h4-10,18-20H,11-17H2,1-3H3;1H

HIDE SMILES / InChI
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C25H33ClN2O2
Molecular Weight 428.995
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

Lobuprofen is an ester type analgesic, in which the acid moiety (ibuprofen) has peripheral analgesic activity and the alcohol moiety (mCPPol) has central analgesic activity.

Approval Year

Unknown
149,124

Patents

20060069161
5
20100226943
186
7795310
2

Sample Use Guides

In Vivo Use Guide
Single dose - 13 mg/kg
Route of Administration: Other
Substance Class Chemical
Record UNII
D5BE0IJ3GR
Record Status Validated (UNII)
Record Version
NIH
NCATS
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