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Details

Stereochemistry RACEMIC
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IBUPROFEN

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

InChI

InChIKey=HEFNNWSXXWATRW-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)

HIDE SMILES / InChI
Molecular Formula C13H18O2
Molecular Weight 206.2808
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:13:11 UTC 2023
Edited
by admin
on Fri Dec 15 16:13:11 UTC 2023
Record UNII
WK2XYI10QM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IBUPROFEN
EMA EPAR   EP   HSDB   INCI   INN   MART.   MI   ORANGE BOOK   USAN   USP   USP-RS   VANDF   WHO-DD   WHO-IP  
INN   INCI   USAN  
Official Name English
IBUPROFEN COMPONENT OF ADVIL ALLERGY SINUS
Common Name English
IB-100
Code English
IBUPROFEN COMPONENT OF SINE-AID IB
Common Name English
IBUPROFEN COMPONENT OF CHILDREN'S MOTRIN COLD
Common Name English
ibuprofen [INN]
Common Name English
U-18,573
Code English
COMBOGESIC COMPONENT IBUPROFEN
Brand Name English
IBUPROFEN COMPONENT OF VICOPROFEN
Common Name English
PROFEN
Brand Name English
IBUPROFEN [EP MONOGRAPH]
Common Name English
(±)-2-(P-ISOBUTYLPHENYL)PROPIONIC ACID
Common Name English
CAP-PROFEN
Brand Name English
IBUPROFEN COMPONENT OF COMBOGESIC
Brand Name English
IBUPROFEN [MI]
Common Name English
IBUPROFEN [ORANGE BOOK]
Common Name English
IBUPROFEN COMPONENT OF REPREXAIN
Common Name English
IBUPROFEN [EMA EPAR]
Common Name English
(±)-P-ISOBUTYLHYDRATROPIC ACID
Common Name English
TAB-PROFEN
Brand Name English
VICOPROFEN COMPONENT IBUPROFEN
Common Name English
IBUPROFEN [HSDB]
Common Name English
IBUPROFEN [USP-RS]
Common Name English
NSC-256857
Code English
BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL), (±)-
Common Name English
ADVIL ALLERGY SINUS COMPONENT IBUPROFEN
Common Name English
IBUPROFEN [INCI]
Common Name English
IBU-TAB
Brand Name English
CALDOLOR
Brand Name English
BURANA
Brand Name English
IBUPROFEN [MART.]
Common Name English
NUPRIN
Brand Name English
ADVIL CONGESTION RELIEF COMPONENT IBUPROFEN
Common Name English
ACHES-N-PAIN
Brand Name English
IBUPROFEN COMPONENT OF COMBUNOX
Common Name English
IBUPROFEN [USP MONOGRAPH]
Common Name English
MIDOL
Brand Name English
IBUPROFEN COMPONENT OF CHILDREN'S ADVIL COLD
Common Name English
BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-
Common Name English
M01AE01
Code English
(±)-IBUPROFEN
Common Name English
CHILDREN'S ADVIL COLD COMPONENT IBUPROFEN
Common Name English
IBUPROFEN COMPONENT OF ADVIL CONGESTION RELIEF
Common Name English
U-18573
Code English
COMBUNOX COMPONENT IBUPROFEN
Common Name English
REPREXAIN COMPONENT IBUPROFEN
Common Name English
RD 13621
Code English
IBUPRIN
Brand Name English
MEDIPREN
Brand Name English
RUFEN
Brand Name English
Ibuprofen [WHO-DD]
Common Name English
PEDEA
Brand Name English
IBUPROFEN [USAN]
Common Name English
IBUPROFEN [WHO-IP]
Common Name English
IBUPROFEN [VANDF]
Common Name English
MOTRIN
Brand Name English
IBU
Brand Name English
SINE-AID IB COMPONENT IBUPROFEN
Common Name English
IBUPROFENUM [WHO-IP LATIN]
Common Name English
IBUPROFEN [JAN]
Common Name English
CHILDREN'S MOTRIN COLD COMPONENT IBUPROFEN
Common Name English
IBUPROFEN [USP IMPURITY]
Common Name English
IBUPROHM
Brand Name English
ADVIL
Brand Name English
Classification Tree Code System Code
WHO-ATC N02AJ19
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
LIVERTOX NBK547845
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
NDF-RT N0000000160
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-VATC QM02AA13
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-ATC G02CC01
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-ESSENTIAL MEDICINES LIST 7.1
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
FDA ORPHAN DRUG 100896
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-ESSENTIAL MEDICINES LIST 8.4
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-ATC M01AE51
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
NDF-RT N0000175721
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
EU-Orphan Drug EU/3/01/020
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-VATC QM01AE51
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-VATC QM01AE01
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-VATC QG02CC01
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
NDF-RT N0000175722
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
NCI_THESAURUS C1323
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-ATC R02AX02
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-ATC M01AE01
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-ATC N02AJ08
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-ATC C01EB16
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
EMA ASSESSMENT REPORTS PEDEA (AUTHORIZED: DUCTUS ATERIOSUS, PATENT)
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-ESSENTIAL MEDICINES LIST 29
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-ESSENTIAL MEDICINES LIST 2.1
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-ATC M02AA13
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
WHO-VATC QC01EB16
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
Code System Code Type Description
MERCK INDEX
m6189
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY Merck Index
DAILYMED
WK2XYI10QM
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
ChEMBL
CHEMBL521
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
NCI_THESAURUS
C561
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
FDA UNII
WK2XYI10QM
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
RS_ITEM_NUM
1335508
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
CAS
15687-27-1
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
MESH
D007052
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
CHEBI
132922
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
CAS
58560-75-1
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
SUPERSEDED
DRUG BANK
DB01050
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
INN
2118
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
DRUG CENTRAL
1407
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
RXCUI
5640
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY RxNorm
IUPHAR
2713
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
CHEBI
5855
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
ECHA (EC/EINECS)
239-784-6
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
CAS
139466-08-3
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
SUPERSEDED
EPA CompTox
DTXSID5020732
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
NSC
256857
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
HSDB
3099
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
IBUPROFEN
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY Description: Colourless crystals or a white, crystalline powder; odour, characteristic. Solubility: Practically insoluble in water; soluble in 1.5 parts of ethanol (~750 g/l) TS, in 2 parts of ether R and in 1.5 parts of acetone R. Category: Analgesic; anti-inflammatory. Storage: Ibuprofen should be kept in a well-closed container. Definition: Ibuprofen contains not less than 98.5% and not more than 100.5% of C13H18O2, calculated with reference to the dried substance.
SMS_ID
100000090365
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
PUBCHEM
3672
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
CHEBI
43415
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
LACTMED
Ibuprofen
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
WIKIPEDIA
IBUPROFEN
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
EVMPD
SUB08098MIG
Created by admin on Fri Dec 15 16:13:11 UTC 2023 , Edited by admin on Fri Dec 15 16:13:11 UTC 2023
PRIMARY
Related Record Type Details
Structure of IBUPROFEN SODIUM ANHYDROUS
SALT/SOLVATE -> PARENT
CYTOCHROME P450 2C9
METABOLIC ENZYME -> SUBSTRATE
Structure of IBUPROFEN POTASSIUM
SALT/SOLVATE -> PARENT
OAT-1
TRANSPORTER -> INHIBITOR
Structure of IBUPROFEN LYSINE
SALT/SOLVATE -> PARENT
OAT-4
TRANSPORTER -> INHIBITOR
Structure of IBUPROFEN SODIUM
SALT/SOLVATE -> PARENT
OAT-3
TRANSPORTER -> INHIBITOR
OAT-2
TRANSPORTER -> INHIBITOR
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Structure of IBUPROFEN MEGLUMINE
SALT/SOLVATE -> PARENT
Structure of IBUPROFEN DL-LYSINE
SALT/SOLVATE -> PARENT
Structure of IBUPROFEN ALUMINUM
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of 2-(4'-(1-HYDROXY-2-METHYLPROPYL)PHENYL)PROPIONIC ACID
METABOLITE INACTIVE -> PARENT
MINOR
Structure of CARBOXYIBUPROFEN-GLUCURONIDE
METABOLITE INACTIVE -> PARENT
Structure of 2-HYDROXYIBUPROFEN
METABOLITE ACTIVE -> PARENT
MAJOR
URINE
Structure of 4-CARBOXY-.ALPHA.-METHYLBENZENEACETIC ACID
METABOLITE INACTIVE -> PARENT
Structure of CARBOXYIBUPROFEN
METABOLITE ACTIVE -> PARENT
MAJOR
URINE
Structure of 3-HYDROXYIBUPROFEN
METABOLITE INACTIVE -> PARENT
MINOR
Related Record Type Details
Structure of 2-(4-FORMYLPHENYL)PROPIONIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 7-(2-METHYLPROPYL)-1-(4-(2-METHYLPROPYL)PHENYL)-1,2,3,4-TETRAHYDRONAPHTHALENE-1,4-DICARBOXYLIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 4'-ISOBUTYLACETOPHENONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 2-(4-ETHYLPHENYL)PROPIONIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 1-(2-METHYLPROPYL)-4-(3-(4-(2-METHYLPROPYL)PHENYL)BUTYL)BENZENE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 2-(4-ISOBUTYRYLPHENYL)PROPIONIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 1-(4-Acetylphenyl)-2-methyl-1-propanone
IMPURITY -> PARENT
Structure of 1,3-BIS(4-(2-METHYLPROPYL)PHENYL)BUTAN-1-ONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 1,1-BIS(P-ISOBUTYLPHENYL)ETHANE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 2-(3-ISOBUTYLPHENYL)PROPIONIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of IBUPROFEN ALCOHOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 2-(4'-(1-HYDROXY-2-METHYLPROPYL)PHENYL)PROPIONIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 3-(4-ISOBUTYLPHENYL)PROPANOIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (GC)
EP
Structure of 2-(4-ISOBUTYLPHENYL)-2-HYDROXYPROPIONIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 2-(4-(2-METHYLPROPYL)PHENYL)ETHANOL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 2-(4-(1-METHYLPROPYL)PHENYL)PROPANOIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of IBUPROFEN
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
MAXIMUM TOLERATED DOSE PHARMACOKINETIC INDICATION
BIOLOGICAL
ROUTE OF ADMINSTRATION
PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC PEDIATRICS
PHARMACOKINETIC
Cmax PHARMACOKINETIC ROUTE OF ADMINSTRATION

DOSE
PHARMACOKINETIC
Tmax PHARMACOKINETIC FOOD EFFECT
PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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