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| CAS Number | 31842-01-0 |
| Catalog Number | AG003EUG(AGN-PC-07Y4O7) |
| Chemical Name | Indoprofen |
| EC Number | 250-833-0 |
| IUPAC Name | 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid |
| InChI | InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21) |
| InChI Key | RJMIEHBSYVWVIN-UHFFFAOYSA-N |
| MDL Number | MFCD00057144 |
| Molecular Formula | C17H15NO3 |
| Molecular Weight | 281.3059 |
| NSC Number | 757065 |
| SMILES | CC(C(O)=O)C1=CC=C(C=C1)N1CC2=CC=CC=C2C1=O |
| Synonyms | Dexindoprofen,
Indoprofen,
indoprofen,
31842-01-0,
Isindone,
Flosint,
Reumofene,
Flosin,
2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic acid,
Indoprofene,
Indoprofeno,
Indoprofenum,
K 4277,
Indoprofene [INN-French],
Indoprofenum [INN-Latin],
Indoprofeno [INN-Spanish],
EINECS 250-833-0,
2-(4-(1-Carboxyethyl)phenyl)-1-isoindolinone,
4-(1-Oxo-2-isoindolinyl)hydratropasaeure,
CHEMBL15870,
p-(1-Oxo-2-isoindolinyl)hydratropic acid,
MLS000069761,
1-Oxo-2-(p-((alpha-methyl)carboxymethyl)phenyl)isoindoline,
CHEBI:76162,
2-(4-(1-Oxo-2-isoindolinyl)phenyl)propionsaeure,
Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-alpha-methyl-,
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid,
Propionic acid, 2-(p-(1-oxo-2-isoindolinyl)phenyl)-,
alpha-(4-(1-Oxo-2-iso-indolinyl)-phenyl)-propionic acid,
Propionic acid, alpha-(4-(1-oxo-2-isoindolinyl)phenyl)-,
NCGC00094700-01,
SMR000058710,
4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-alpha-methylbenzeneacetic acid,
Hydratropic acid, p-(1-oxo-2-isoindolinyl)-,
K-4277,
2-[4-(1-oxoisoindolin-2-yl)phenyl]propanoic acid,
2-[4-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)phenyl]propanoic acid,
ALPHA-METHYL-P-[1-OXO-2-ISOINDOLINYL]-BENZENEACETIC ACID,
SR-01000712384,
Praxis,
indoprofen o,
Indoprofen [USAN:BAN:INN],
Indoprofen [USAN:INN:BAN],
Bor-ind,
CAS-31842-01-0,
Prestwick_1001,
(+/-) Indoprofen,
PubChem23747,
Spectrum_000941,
Opera_ID_630,
AC1L1GJZ,
AC1Q1LGN,
Indoprofen (USAN/INN),
Prestwick0_000836,
Prestwick1_000836,
Prestwick2_000836,
Prestwick3_000836,
Spectrum2_000785,
Spectrum3_000469,
Spectrum4_000019,
Spectrum5_000870,
cid_3718,
DSSTox_CID_25831,
DSSTox_RID_81159,
DSSTox_GSID_45831,
SCHEMBL25137,
BSPBio_000791,
BSPBio_002178,
KBioGR_000397,
KBioSS_001421,
MLS001146951,
MLS001333195,
MLS001333196,
DivK1c_000401,
SPECTRUM1500351,
SPBio_000890,
SPBio_002712,
Indoprofen, analytical standard,
BPBio1_000871,
DTXSID5045831,
CTK7I4161,
HMS501E03,
KBio1_000401,
KBio2_001421,
KBio2_003989,
KBio2_006557,
KBio3_001398,
KS-00001FAT,
NINDS_000401,
RJMIEHBSYVWVIN-UHFFFAOYSA-N,
HMS1570H13,
HMS1920H03,
HMS2091N11,
HMS2097H13,
HMS2230L16,
HMS3714H13,
Pharmakon1600-01500351,
ACN-C000763,
HY-B1104,
Tox21_111316,
BDBM50233673,
CCG-40163,
MFCD00057144,
NSC757065,
(+-)-4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-alpha-methylbenzeneacetic acid,
AKOS015900986,
API0008560,
CS-4695,
DB08951,
MCULE-8196316614,
NSC-757065,
TRA0081730,
( inverted exclamation markA)-Indoprofe,
ACM31842010,
Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-alpha-methyl-, (+-)-,
IDI1_000401,
( inverted exclamation markA)-Indoprofen,
NCGC00094700-02,
NCGC00094700-03,
NCGC00094700-04,
53022-60-9,
CC-29552,
LS-76358,
SC-53848,
SBI-0051416.P003,
AX8113553,
AB00052023,
FT-0630559,
ST51015025,
X6838,
VU0243102-4,
D04530,
AB00052023_15,
C-17714,
2-[4-(1-Oxo-2-isoindolinyl)phenyl]propanoic Acid,
2-[4-(1-oxo-2-isoindolinyl)phenyl]propionic acid,
SR-01000712384-2,
SR-01000712384-3,
alpha-(4-(1-Oxo-2-isoindolinyl)phenyl)propionic acid,
alpha-[p-(1-oxo-2-isoindolinyl)phenyl]propionic acid,
BRD-A44090213-001-05-8,
BRD-A44090213-001-15-7,
I14-15850,
(+)-2-(4-(1-oxoisoindolin-2-yl)phenyl)propanoic acid,
alpha-[p-(1-oxo-2-isoindolinyl) phenyl]propionic acid,
alpha-Methyl-p-(1-oxo-2-isoindolinyl)benzeneacetic acid,
1-Oxo-2-[p-[(|A-methyl)carboxymethyl]phenyl]isoindoline,
2-[4-(1-Oxo-1,3-dihydro-isoindol-2-yl)-phenyl]-propionic acid,
2-[4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]propanoic acid,
4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-.alpha.-methylbenzeneacetic acid,
4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-|A-methylbenzeneacetic Acid,
Dexindoprofen,
Dexindoprofene,
Dexindoprofeno,
Dexindoprofenum,
racemic indoprofen,
Dexindoprofen [INN],
UNII-CPE46ZU14N,
D0Q5PL,
CPE46ZU14N,
Dexindoprofene [INN-French],
Dexindoprofenum [INN-Latin],
C17H15NO3,
Dexindoprofeno [INN-Spanish],
UNII-004T8726AU,
CID3718,
EINECS 258-351-2,
C17-H15-N-O3,
2-(4-(1-Oxoisoindolin-2-yl)phenyl)propanoicacid,
D007216,
( )-(S)-4-(1-Oxo-2-isoindolinyl)hydratropasaeure,
(+)-(S)-4-(1-Oxo-2-isoindolinyl)hydratropasaeure,
|A-Methyl-p-(1-oxo-2-isoindolinyl)benzeneacetic acid,
Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-.alpha.-methyl-,
53086-13-8,
IPP,
|
| Complexity | 414 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.311g/mol |
| Monoisotopic Mass | 281.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H301-H351 |
| Packing Group | Ⅲ |
| Precautionary statements | P281-P301+P310 |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

