Dexibuprofen

PubChem CID: 39912

Connections displayed (default: 10).

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Compound Synonyms	(S)-(+)-Ibuprofen, 51146-56-6, DEXIBUPROFEN, (S)-Ibuprofen, (S)-2-(4-Isobutylphenyl)propanoic acid, S(+)-Ibuprofen, (S)-(+)-2-(4-Isobutylphenyl)propionic acid, Dexibuprofene, Dexibuprofeno, Seractil, s-ibuprofen, d-Ibuproten, (+)-(S)-p-Isobutylhydratropic acid, Dexibuprofenum, (S)-(+)-4-Isobutyl-alpha-methylphenylacetic acid, Dexibuprofen (free acid), (2S)-2-(4-isobutylphenyl)propanoic acid, Dexibuprofene [INN-French], Dexibuprofenum [INN-Latin], MFCD00069289, Dexibuprofeno [INN-Spanish], S-(+)-ibuprofen, NSC-759814, 671DKG7P5S, Dexibuprofen [USAN:INN:BAN], DTXSID9048724, CHEBI:43415, DEXIBUPROFEN [INN], CHEMBL175, DEXIBUPROFEN [USAN], DEXIBUPROFEN [MART.], (S)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid, DEXIBUPROFEN [WHO-DD], DTXCID6028650, 51146-56-6 (free acid), NSC 759814, NCGC00016861-05, (S)-2-(4-Isobutylphenyl)propionic acid, Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (S)-, (S)-2-(4-isobutyl-phenyl)-propionic acid, CAS-51146-56-6, S-(+)-2-(4-Isobutylphenyl)propionic acid, (+)-Ibuprofen, (s)-(+)-4-isobutyl-a-methylphenylacetic acid, Dexibuprofene (INN-French), Dexibuprofenum (INN-Latin), Dexibuprofeno (INN-Spanish), DEXIBUPROFEN (MART.), BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, (S)-, SMR000326688, UNII-671DKG7P5S, Atriscal, Dolomin, DexOptifen, d-Ibuprofen, Maxibufen Syr, Maxibufen ER, ibuprofen-(S), (+)-Ibuprophen, (2S)-2-[4-(2-Methylpropyl)phenyl]propionic acid, (S)-(+)-4-Isobutyl-alpha-methylphenylacetic acid, (S)-(+)-2-(4-Isobutylphenyl)propionic acid, (s)(+)ibuprofen, S (+) Ibuprofen, (s)(+) ibuprofen, (+)-(S)-Ibuprofen, (S)-(-)-Ibuprofen, Lopac-I-106, Prestwick0_000907, Prestwick1_000907, Prestwick2_000907, Prestwick3_000907, Lopac-I-4883, Dexibuprofen (USAN/INN), Lopac0_000654, SCHEMBL43531, BSPBio_000754, MLS001066327, MLS001335879, MLS001335880, SPBio_002953, BPBio1_000830, M01AE14, (S)-(+)-Ibuprofen (Standard), HMS1570F16, HMS2097F16, HMS2231C07, HMS3262C09, HMS3714F16, HY-78131AR, Pharmakon1600-01502363, Tox21_113141, Tox21_500654, BDBM50169047, HY-78131A, NSC759814, AKOS015890528, AKOS015994628, CCG-204740, CS-1393, DB09213, FI24528, HS-0088, LP00654, SDCCGSBI-0050633.P002, (S)-2-(p-Isobutylphenyl)propionic acid, NCGC00015529-01, NCGC00015529-02, NCGC00015529-03, NCGC00015529-11, NCGC00016861-01, NCGC00016861-02, NCGC00016861-03, NCGC00016861-06, NCGC00016861-13, NCGC00094017-01, NCGC00094017-02, NCGC00094017-04, NCGC00261339-01, UNM-0000306099, AB00513957, EU-0100654, I-106, I0549, NS00098758, (S)-(+)-Ibuprofen, ReagentPlus(R), 99%, (s)-(+)-2-(4-isobutylphenyl) propionic acid, D03715, EN300-180104, O10202, AB00513957_07, A849905, Q420051, SR-01000075945, SR-01000761395, SR-01000075945-1, SR-01000761395-2, BRD-K14965640-001-03-3, BRD-K14965640-001-12-4, (+)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid, Z1508914616, (alphaS)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid, benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (alphaS)-, Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (alphaS)- (9CI), (S)-(+)-Ibuprofen, (2S)-2-[4-(2-Methylpropyl)phenyl]propionic acid, DEXIBUPROFEN, 610-620-9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	15.0
Isotope Atom Count	0.0
Molecular Complexity	203.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Uniprot Id	P05979, P79208, P23219, P25024, Q05769, P37136, P02545, P16473, P0A6C1, Q01453, Q194T2, P54132, P11712, Q96KQ7, O15648, Q13951, P83916, P49798, P35503, P35354, P52895, P42330, P17516, Q04828, Q13148, P15289, P27695, O35240, Q62962, P55926, n.a., P0DTD1
Iupac Name	(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
Prediction Hob	1.0
Target Id	NPT30, NPT483, NPT210, NPT796, NPT58, NPT212, NPT31, NPT3507, NPT3504
Xlogp	3.5
Molecular Formula	C13H18O2
Prediction Swissadme	1.0
Inchi Key	HEFNNWSXXWATRW-JTQLQIEISA-N
Fcsp3	0.4615384615384615
Logs	-4.82
Rotatable Bond Count	4.0
Logd	2.344
Compound Name	Dexibuprofen
Prediction Hob Swissadme	1.0
Exact Mass	206.131
Formal Charge	0.0
Monoisotopic Mass	206.131
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	206.28
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Esol	-3.3559669999999993
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)/t10-/m0/s1
Smiles	C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O
Nring	3.0
Defined Bond Stereocenter Count	0.0

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Phytochemical Properties

Associated Connections 119

Plant Connections 119