Compound Summary
Compound Information
(S)-(+)-Ibuprofen
Compound Name: | (S)-(+)-Ibuprofen |
Compound CID: | 39912 |
Synonyms: | (S)-(+)-Ibuprofen DEXIBUPROFEN 51146-56-6 (S)-Ibuprofen (S)-2-(4-Isobutylphenyl)propanoic acid More... |
Iupac Name: | (2S)-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)/t10-/m0/s1 |
InChIKey: | HEFNNWSXXWATRW-JTQLQIEISA-N |
Canonical Smiles: | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O |
Isomeric Smiles: | C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O |
Molecular Weight: | 206.28 |
Molecular Formula: | C13H18O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
(S)-(+)-Ibuprofen
Molecular Weight: | 206.28 |
Molecular Formula: | C13H18O2 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 15 |
Complexity: | 203 |
Synonyms
(S)-(+)-Ibuprofen
| (S)-(+)-Ibuprofen | (S)-(+)-Ibuprofen |
|---|---|
(S)-(+)-Ibuprofen |
DEXIBUPROFEN |
51146-56-6 |
(S)-Ibuprofen |
(S)-2-(4-Isobutylphenyl)propanoic acid |
S(+)-Ibuprofen |
(S)-(+)-2-(4-Isobutylphenyl)propionic acid |
d-Ibuproten |
Dexibuprofen (free acid) |
(S)-(+)-4-Isobutyl-alpha-methylphenylacetic acid |
(+)-(S)-p-Isobutylhydratropic acid |
Seractil |
(2S)-2-4-(2-methylpropyl)phenylpropanoic acid |
UNII-671DKG7P5S |
S-(+)-ibuprofen |
(2S)-2-(4-isobutylphenyl)propanoic acid |
MFCD00069289 |
CHEMBL175 |
671DKG7P5S |
CHEBI:43415 |
51146-56-6 (free acid) |
(S)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid |
NCGC00016861-05 |
(S)-2-(4-Isobutylphenyl)propionic acid |
(S)-2-(4-isobutyl-phenyl)-propionic acid |
CAS-51146-56-6 |
S-(+)-2-(4-Isobutylphenyl)propionic acid |
(+)-Ibuprofen |
Ibu-Tab |
Dexibuprofene |
Dexibuprofeno |
Dexibuprofenum |
Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (S)- |
SMR000326688 |
Dexibuprofene INN-French |
Dexibuprofenum INN-Latin |
Dexibuprofeno INN-Spanish |
Atriscal |
Dolomin |
DexOptifen |
s-ibuprofen |
d-Ibuprofen |
Maxibufen Syr |
Dexibuprofen USAN:INN:BAN |
Maxibufen ER |
ibuprofen-(S) |
(+)-Ibuprophen |
(2S)-2-4-(2-Methylpropyl)phenylpropionic 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) |
DSSTox_CID_28650 |
DSSTox_RID_82920 |
DSSTox_GSID_48724 |
Lopac0_000654 |
SCHEMBL43531 |
BSPBio_000754 |
MLS001066327 |
MLS001335879 |
MLS001335880 |
SPBio_002953 |
BPBio1_000830 |
ZINC2647 |
DTXSID9048724 |
HMS1570F16 |
HMS2097F16 |
HMS2231C07 |
HMS3262C09 |
HMS3714F16 |
Pharmakon1600-01502363 |
Tox21_113141 |
Tox21_500654 |
BDBM50169047 |
HY-78131A |
NSC759814 |
AKOS015890528 |
AKOS015994628 |
CCG-204740 |
CS-1393 |
DB09213 |
HS-0088 |
LP00654 |
NSC 759814 |
NSC-759814 |
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 |
O942 |
UNM-0000306099 |
AB00513957 |
AM20060649 |
EU-0100654 |
I-106 |
I0549 |
(S)-(+)-Ibuprofen, ReagentPlus(R), 99% |
(s)-(+)-2-(4-isobutylphenyl) propionic acid |
(s)-(+)-4-isobutyl-a-methylphenylacetic acid |
D03715 |
O10202 |
(S)-(+)-4-Isobutyl-??-methylphenylacetic acid |
AB00513957_07 |
146I566 |
A849905 |
Q420051 |
SR-01000075945 |
SR-01000761395 |
(S)-?-Methyl-4-(2-methylpropyl)benzeneacetic acid |
Q-200941 |
Q-200942 |
SR-01000075945-1 |
SR-01000761395-2 |
BRD-K14965640-001-03-3 |
(+)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid |
Z1741977191 |
(alphaS)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid |
Benzeneacetic acid,|A-methyl-4-(2-methylpropyl)-,(|AS)- |
UNII-WK2XYI10QM component HEFNNWSXXWATRW-JTQLQIEISA-N |
benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (alphaS)- |
Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (alphaS)- (9CI) |
Experimental Data
(S)-(+)-Ibuprofen
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | -1 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
(S)-(+)-Ibuprofen
Statistics Data
(S)-(+)-Ibuprofen
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -1 | 1 | 1 |
Statistics Data Visualization
(S)-(+)-Ibuprofen
