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| CAS Number | 15687-27-1 |
| Catalog Number | AG003LL0(AGN-PC-008U46) |
| Chemical Name | Ibuprofen |
| EC Number | 239-784-6 |
| IUPAC Name | 2-[4-(2-methylpropyl)phenyl]propanoic acid |
| InChI | 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) |
| InChI Key | HEFNNWSXXWATRW-UHFFFAOYSA-N |
| MDL Number | MFCD00010393 |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.2808 |
| SMILES | C1=CC(=CC=C1C(C(=O)O)C)CC(C)C |
| Synonyms | alpha-Methyl-4-(2-methylpropyl)benzeneacetic Acid,
Brufen,
Ibumetin,
Ibuprofen,
Ibuprofen Zinc,
Ibuprofen, (+-)-Isomer,
Ibuprofen, (R)-Isomer,
Ibuprofen, (S)-Isomer,
Ibuprofen, Aluminum Salt,
Ibuprofen, Calcium Salt,
Ibuprofen, Copper (2+) Salt,
Ibuprofen, Magnesium Salt,
Ibuprofen, Potassium Salt,
Ibuprofen, Sodium Salt,
Ibuprofen, Zinc Salt,
Ibuprofen-Zinc,
Motrin,
Nuprin,
Rufen,
Salprofen,
Trauma Dolgit Gel,
Trauma-Dolgit Gel,
ibuprofen,
15687-27-1,
2-(4-Isobutylphenyl)propanoic acid,
Brufen,
Motrin,
Advil,
Nurofen,
Dolgit,
Liptan,
Nuprin,
Anflagen,
Buburone,
Butylenin,
Ibumetin,
Ibuprocin,
Medipren,
Ebufac,
Lamidon,
Mynosedin,
Apsifen,
Epobron,
Haltran,
Roidenin,
Trendar,
Adran,
Andran,
Bluton,
Nobfen,
Nobgen,
PediaProfen,
Rufen,
Nobfelon,
Brufort,
Inabrin,
Pantrop,
Rebugen,
Suspren,
Tabalon,
(RS)-Ibuprofen,
Anco,
Urem,
2-[4-(2-methylpropyl)phenyl]propanoic acid,
Ibu-slo,
Brufanic,
Ibuprohm,
Napacetin,
Ibufen,
Ibren,
4-Isobutylhydratropic acid,
p-Isobutylhydratropic acid,
Novoprofen,
Proartinal,
Amersol,
Dibufen,
Dolocyl,
Ibuprin,
Lidifen,
Optifen,
Ostofen,
Panafen,
Paxofen,
Proflex,
Quadrax,
Uprofen,
Burana,
Carol,
Dolgin,
Midol,
Profen,
Rafen,
Cobo,
Ifen,
(+-)-Ibuprofen,
Cap-Profen,
Tab-Profen,
Artril 300,
Ibu-Tab,
4-Isobutyl-alpha-methylphenylacetic acid,
Midol 200,
duralbuprofen,
Butacortelone,
Amibufen,
Antalfene,
Antarene,
Antiflam,
Balkaprofen,
Betaprofen,
Bukrefen,
Buracaps,
Citalgan,
Combiflam,
Daiprophen,
Dentigoa,
Dignoflex,
Dolgirid,
Dolmaral,
Dolofort,
Dolormin,
Doltibil,
Dysdolen,
Esprenit,
Exneural,
Femapirin,
Fibraflex,
Gelufene,
Ibucasen,
Ibudolor,
Ibuflamar,
Ibugesic,
Ibuhexal,
Ibulagic,
Ibumerck,
Ibupirac,
Ibuprofeno,
Jenaprofen,
Kratalgin,
Lebrufen,
Librofem,
Malafene,
Manypren,
Mensoton,
Neobrufen,
Novogent,
Nuprilan,
Oralfene,
Relcofen,
Rhinadvil,
Seclodin,
Sednafen,
Seklodin,
Seskafen,
Solpaflex,
Suprafen,
Syntofene,
Alaxan,
Algofen,
Amelior,
Anafen,
Antagil,
Artofen,
Artril,
Brofen,
Bruflam,
Bufeno,
Bufigen,
Bupron,
Dansida,
Dolibu,
Dolofen,
Dolofin,
Dologel,
Dolomax,
Doloren,
Dolven,
Dorival,
Duafen,
Duobrus,
Easifon,
Emflam,
Eputex,
Faspic,
Femadon,
Femafen,
Femidol,
Fenbid,
Fendol,
Fenspan,
Grefen,
Gynofug,
Ibubest,
Ibubeta,
Ibudol,
Ibufug,
Ibugel,
Ibugen,
Ibular,
Ibulav,
Ibuleve,
Ibulgan,
Ibumed,
Ibusal,
Ibutid,
Inflam,
Inoven,
Isodol,
Junifen,
Lopane,
Melfen,
Moment,
Narfen,
Nerofen,
Noalgil,
Nobafon,
Noritis,
Novadol,
Opturem,
Ostarin,
Ozonol,
Paduden,
Perofen,
Provon,
Ranofen,
Sadefen,
Salivia,
Siyafen,
Solufen,
Stelar,
Sugafen,
Tatanal,
Tempil,
Unipron,
Bloom,
Cesra,
Cunil,
Dalsy,
Ergix,
Gofen,
Ipren,
Irfen,
Kesan,
Rofen,
Rufin,
Rupan,
Tofen,
Tonal,
Upfen,
Zafen,
Zofen,
alpha-(4-Isobutylphenyl)propionic acid,
Drin,
Ibol,
Pediatric Advil,
Apo-Ibuprofen,
Brufen Retard,
Ibu-Attritin,
Neo-Helvagit,
(+/-)-Ibuprofen,
Deep Relief,
Dolo-Dolgit,
Ibu-slow,
Novo-Profen,
Neo-Mindol,
Dolofen-F,
Donjust B,
Nagifen-D,
Children's Advil,
Dura-Ibu,
Motrin IB,
Togal N,
Children's Motrin,
Ibu-Tab 200,
Children's Ibuprofen,
Dularbuprofen,
Caldolor,
Ibuprophen,
Tabalon 400,
(+-)-p-Isobutylhydratropic acid,
Brufen 400,
Emflam-200,
Junior Strength Advil,
Kontagripp Mono,
DOLO PUREN,
IP-82,
Junior Strength Motrin,
Novo Dioxadol,
Schmerz-Dolgit,
Act-3,
Ak+C2278tren,
ACHES-N-PAIN,
Hemagene Tailleur,
Hydratropic acid, p-isobutyl-,
Advil Liqui-Gels,
(4-Isobutylphenyl)-alpha-methylacetic acid,
Adex 200,
Junior Strength Ibuprofen,
Advil, Children's,
Am-Fam 400,
Codral Period Pain,
Children's Elixsure,
p-Isobutyl-2-phenylpropionic acid,
(+-)-Ibuprophen,
(+-)-2-(p-Isobutylphenyl)propionic acid,
2-(4-ISOBUTYLPHENYL)PROPIONIC ACID,
alpha-(p-isobutylphenyl)propionic acid,
Midol IB Cramp Relief,
Genpril,
VUFB 9649,
Bayer Select Pain Relief,
Ibuprofene [INN-French],
Ibuprofenum [INN-Latin],
RD 13621,
Racemic ibuprofen,
Ibuprofeno [INN-Spanish],
U-18,573,
alpha-p-Isobutylphenylpropionic acid,
MOTRIN MIGRAINE PAIN,
58560-75-1,
IB-100,
Motrin IB Gelcaps,
UCB 79171,
(+-)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid,
2-(4-Isobutyl-phenyl)-propionic acid,
CCRIS 3223,
CHEBI:5855,
alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid,
CHILDREN'S ADVIL-FLAVORED,
Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-,
HSDB 3099,
Children's Elixsure IB,
Benzeneacetic acid, .alpha.-methyl-4-(2-methylpropyl)-,
2-(p-Isobutylphenyl)propionic acid,
EINECS 239-784-6,
MFCD00010393,
CHEMBL521,
U 18573,
NSC 256857,
BRN 2049713,
MLS000069733,
(+/-)-2-(4-Isobutylphenyl)Propanoic Acid,
Ibu,
(S)-4-Isobutyl-alpha-methylphenylacetic acid,
R.D. 13621,
HEFNNWSXXWATRW-UHFFFAOYSA-N,
(+/-)-p-Isobutylhydratropic acid,
Acide (isobutyl-4-phenyl)-2 propionique [French],
C13H18O2,
U-18573,
Ibuprofen, 99%,
NSC256857,
.alpha.-(p-isobutylphenyl)propionic acid,
NCGC00015529-09,
Ibuprofenum,
.alpha.-(4-Isobutylphenyl)propionic acid,
Acide (isobutyl-4 phenyl)-2 propionique,
Ibuprofene,
Salprofen,
SMR000058184,
4-Isobutyl-.alpha.-methylphenylacetic acid,
alpha-Methyl-4-(isobutyl)phenylacetic acid,
DSSTox_CID_732,
[(+/-)-2-(4-Isobutylphenyl)-propionic Acid,
DSSTox_RID_75759,
DSSTox_GSID_20732,
alpha-Methyl-4-[2-methylpropyl] benzeneacetic Acid,
.alpha.-Methyl-4-(2-methylpropyl)benzeneacetic acid,
Actiprofen,
Alivium,
Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl), (+-)-,
Codral,
Pedea,
Advil migraine,
Ibuprofen-Zinc,
Pedia-Profen,
Novogent N,
Apsifen-F,
Perrigo ibuprofen,
Trauma-Dolgit Gel,
CAS-15687-27-1,
Motrin (TN),
Advil (TN),
SR-01000000214,
Advil Migraine Liqui-Gels,
Ibupril,
Ibuprox,
Aktren,
Ibup,
Ibux,
Fenbid Spansule,
CDT-ibuprofen,
Nurofen Meltlets,
Ibuprofen(Advil),
(y)-Ibuprofen,
Ibuprofen,(S),
Midol Liquid Gels,
(+) ibuprofen,
Ibuprofen (Advil),
(?)-Ibuprofen,
Ibuprofen (Dolgesic),
p-Isobutylhydratropate,
Ibuprofen [USAN:USP:INN:BAN:JAN],
Combunox (Salt/Mix),
(A+/-)-Ibuprofen,
PubChem16054,
Spectrum_000849,
Acide (isobutyl-4-phenyl)-2 propionique,
Opera_ID_554,
AC1L1GGE,
Ibuprofen I.V. Solution,
Spectrum2_000129,
Spectrum3_000465,
Spectrum4_000015,
Spectrum5_000862,
WLN: QVY&R DIY,
CBMicro_005634,
IBUPROFEN USP GRADE,
ACMC-209df0,
ACMC-209ks2,
Epitope ID:139973,
p-isobutyl-hydratropic acid,
EC 239-784-6,
I 4883,
Cambridge id 5152402,
SCHEMBL3001,
Isobutylpropanoicphenolic acid,
Lopac0_000691,
Para-Isobutylhydratropic Acid,
BSPBio_002170,
Ibuprofen - Adooq Bioscience,
KBioGR_000389,
KBioSS_001329,
KSC492A1B,
MLS001146965,
p-Isobutyl-2-phenylpropionate,
ARONIS23835,
BIDD:GT0050,
DivK1c_000887,
SPECTRUM1500347,
Ibuprofen, >=98% (GC),
SPBio_000178,
Ibuprofen (JP17/USP/INN),
AC1Q1P84,
AC1Q1P85,
alpha-p-Isobutylphenylpropionate,
GTPL2713,
Motrin IB Gelcaps (Salt/Mix),
2-p-isobutylphenylpropionic acid,
DTXSID5020732,
CTK3J2010,
HEFNNWSXXWATRW-UHFFFAOYSA-,
HMS502M09,
KBio1_000887,
KBio2_001329,
KBio2_003897,
KBio2_006465,
KBio3_001390,
Advil Cold & Sinus (Salt/Mix),
Ibuprofen [USAN:BAN:INN:JAN],
Ibuprofen 1.0 mg/ml in Methanol,
NINDS_000887,
Sine-Aid IB Caplets (Salt/Mix),
2-(4-Isobutylphenyl)propanoicAcid,
alpha-(4-Isobutylphenyl)propionate,
HMS1920F15,
HMS2089P05,
HMS2091N03,
HMS2230N04,
HMS3259G05,
HMS3262K03,
HMS3372M09,
HMS3649M11,
HMS3651A15,
Pharmakon1600-01500347,
ACT03248,
ALBB-025647,
BCP10423,
BCP20325,
BCP25225,
KS-00000CJ0,
KS-000047NV,
ZAG-1701,
( inverted question mark)-Ibuprofen,
(.+-.)-p-Isobutylhydratropic acid,
Children's Elixsure IB (Salt/Mix),
Tox21_110170,
Tox21_201384,
Tox21_302829,
Tox21_500691,
2-(4'-isobutylphenyl)propionic acid,
2-(4-isobutylphenyl) propanoic acid,
2-(4-isobutylphenyl) propionic acid,
2-(4-isobutylphenyl)-propionic acid,
ANW-21658,
BBL010660,
BDBM50009859,
CCG-38947,
NSC757073,
s1638,
SBB064160,
STK177358,
(.+/-.)-p-Isobutylhydratropic acid,
2-(4-isobutylphenyl)-propionoic acid,
2-(4'-isobutylphenyl)-propionic acid,
AKOS003237488,
AKOS016340658,
Propanoic acid, 2-(4-isobutylphenyl),
Tox21_110170_1,
CS-1931,
DB01050,
KS-5029,
LP00691,
LS-7454,
MCULE-9475454445,
NC00458,
NSC-256857,
NSC-757073,
RP26239,
RTR-006580,
SB19113,
ST-1482,
TRA0047278,
( inverted exclamation markA)-Ibuprofen,
alpha-(4-isobutylphenyl)-propionic acid,
alpha-(p-isobutylphenyl)-propionic acid,
IDI1_000887,
NCGC00015529-04,
NCGC00015529-05,
NCGC00015529-06,
NCGC00015529-07,
NCGC00015529-08,
NCGC00015529-10,
NCGC00015529-12,
NCGC00015529-13,
NCGC00015529-14,
NCGC00015529-15,
NCGC00015529-18,
NCGC00089819-02,
NCGC00089819-03,
NCGC00089819-04,
NCGC00089819-05,
NCGC00089819-06,
NCGC00089819-07,
NCGC00256416-01,
NCGC00258935-01,
NCGC00261376-01,
AC-11312,
AK-47272,
AK-73124,
AK307336,
AN-18584,
BR-47272,
CPD000058184,
HY-78131,
NCI60_002065,
SAM002264619,
SC-18867,
ST024750,
Ibuprofen, Vetec(TM) reagent grade, 97%,
SBI-0050669.P004,
(+/-)-2-(p-isobutylphenyl)propionic acid,
.alpha.-2-(p-Isobutylphenyl)propionic acid,
AB1009266,
Ibuprofen, meets USP testing specifications,
TL8001184,
TR-006580,
(.+-.)-2-(p-Isobutylphenyl)propionic acid,
4-Isobutylphenyl)-.alpha.-methylacetic acid,
AM20060782,
BB 0258487,
EU-0100691,
FT-0601629,
FT-0655194,
I0415,
ST24032335,
SW203738-2,
(.+/-.)-2-(p-Isobutylphenyl)propionic acid,
Ibuprofen, VETRANAL(TM), analytical standard,
(r/s)-alpha-methyl-4-isobutylphenylacetic acid,
C01588,
D00126,
J10135,
M-4957,
AB00052020-16,
AB00052020-17,
AB00052020_18,
AB00052020_19,
(RS)-2-(4-(2-Methylpropyl)phenyl)propanoic acid,
687I271,
A831926,
I01-7039,
J-009349,
SR-01000000214-2,
SR-01000000214-4,
BRD-A17655518-001-02-0,
BRD-A17655518-001-12-9,
SR-01000000214-13,
Ibuprofen, British Pharmacopoeia (BP) Reference Standard,
Z1695709473,
(+/-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid,
Ibuprofen, European Pharmacopoeia (EP) Reference Standard,
Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl), (+/-)-,
Ibuprofen, United States Pharmacopeia (USP) Reference Standard,
(? inverted exclamation markA)-2-(4-Isobutylphenyl)Propanoic Acid,
Benzeneacetic acid, .alpha.-methyl-4-(2-methylpropyl), (.+/-.)-,
Ibuprofen, Pharmaceutical Secondary Standard; Certified Reference Material,
Ibuprofen for peak identification, European Pharmacopoeia (EP) Reference Standard,
N4,N4' -Di(naphthalen-1-yl)-N4,N4' -bis(4-vinylphenyl)biphenyl-4,4'-diamine,
(2s)-2-[4-(2-methylpropyl)phenyl]propionic acid DEXIBUPROFEN (S)-(+)-2-(4-ISOBUTYLPHENYL)PROPIONIC ACID (S)-(+)-4-ISOBUTYL-ALPHA-ME,
2-(4-Isobutylphenyl)-propionic acid ; alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid ; p-Isobutylhydratropic acid,
InChI=1/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),
Norton,
Combunox,
Neoprofen,
Dristan Sinus,
Ibuprofen sodium,
emodin,
Vicoprofen,
Solufenum,
Soluphene,
Spedifen,
Ibuprofen Zinc,
Mixture Name,
(R)-Ibuprofen,
(R)-(-)-Ibuprofen,
(S)-(+)-Ibuprofen,
Ibuprofen lysinate,
IBUPROFEN LYSINE,
Ratiodolor (TN),
Dexibuprofen lysine,
Trauma Dolgit Gel,
Arthrofen (TN),
Calprofen (TN),
Espidifen (TN),
Finalflex (TN),
Galprofen (TN),
Ibuprosyn (TN),
Kratalgin (TN),
Neobrufen (TN),
Norvectan (TN),
Salvarina (TN),
Solpaflex (TN),
Advil Cold & Sinus,
Algoflex (TN),
Caldolor (TN),
Dismenol (TN),
Dolofort (TN),
Dolormin (TN),
EmuProfen (TN),
Ibumetin (TN),
Nureflex (TN),
Sine-Aid IB Caplets,
Spedifen (TN),
Spidifen (TN),
(-)-Ibuprofen,
Alivium (TN),
Bonifen (TN),
Bugesic (TN),
Diverin (TN),
Doloraz (TN),
Dorival (TN),
Fenpaed (TN),
Ibalgin (TN),
Ibuleve (TN),
Ibuprom (TN),
Medicol (TN),
Nurofen (TN),
Orbifen (TN),
Panafen (TN),
Perifar (TN),
Rimafen (TN),
Alaxan (TN),
Brufen (TN),
Burana (TN),
Dolgit (TN),
Ebufac (TN),
Fenbid (TN),
Ibugel (TN),
Ibumax (TN),
Ibuxin (TN),
Moment (TN),
Narfen (TN),
Neofen (TN),
Nuprin (TN),
Profin (TN),
Retard (TN),
( -)-Ibuprofen,
Herron Blue (TN),
Ibu-Vivimed (TN),
DEXIBUPROFEN,
I-profen (TN),
ibuprofen lysine salt,
VNPB,
Aktre (TN),
Dalsy (TN),
Hedex (TN),
Ipren (TN),
Upfen (TN),
Dolo-Spedifen (TN),
Ibuprofen, Zinc Salt,
Ibum (TN),
Ibux (TN),
UNII-WK2XYI10QM,
IbuHEXAL (TN),
IBU-Ratiopharm (TN),
Ibuprofen, Sodium Salt,
SINE-AID IB,
Speedpain NANO (TN),
Ibuprofen, Calcium Salt,
Eve (TN),
Ibuprofen, (R)-Isomer,
Ibuprofen, (S)-Isomer,
Ibuprofen, Aluminum Salt,
ADVIL COLD AND SINUS,
IBUFEN (TN),
Ibuprofen, Magnesium Salt,
Ibuprofen, Potassium Salt,
WK2XYI10QM,
Ibuprofen, (+-)-Isomer,
D03SHR,
D0R1QE,
Act-3 (TN),
Dexibuprofen lysine [USAN],
CHILDREN'S ADVIL COLD,
CHILDREN'S MOTRIN COLD,
IBUPROHM COLD AND SINUS,
Ibuprofen, Copper (2+) Salt,
IP82,
UNII-T179MT9211,
CID3672,
Ibuprofen [USAN:INN:BAN:JAN],
IP 82,
DRG-0069,
MK 233,
ACN-048772,
C13-H18-O2,
CS-O-01647,
C13H18O2.xC6H14N2O2.xH2O,
IBUPROFEN AND PSEUDOEPHEDRINE HCL,
Benzeneacetic acid, ?-methyl-4-(2-methylpropyl)-,
51146-57-7,
(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid,
(S)-(+)-4-Isobutyl-alpha-methylphenylacetic acid,
D007052,
51146-56-6,
C13-H18-O2.x-C6-H14-N2-O2.x-H2-O,
L 669455,
Ibuprofen, 98%, an anti-inflammatory inhibitor targeting COX-1 and COX-2 - 25G 25g,
|A-Methyl-4-(isobutyl)phenylacetic acid; ( inverted exclamation markA)-2-(4-Isobutylphenyl)propanoic acid; p-Isobutylhydratropic acid,
1010396-31-2,
141505-32-0,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.285g/mol |
| Monoisotopic Mass | 206.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302 |
| Packing Group | |
| Precautionary statements | P280-P305+P351+P338 |
| UN Code | \N |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

