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| CAS Number | 89796-99-6 |
| Catalog Number | AG003NM5(AGN-PC-0VPLQO) |
| Chemical Name | Aceclofenac |
| IUPAC Name | 2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid |
| InChI | InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21) |
| InChI Key | MNIPYSSQXLZQLJ-UHFFFAOYSA-N |
| MDL Number | MFCD00864296 |
| Molecular Formula | C16H13Cl2NO4 |
| Molecular Weight | 354.1847 |
| SMILES | N(c1c(CC(=O)OCC(=O)O)cccc1)c1c(Cl)cccc1Cl |
| UNII | RPK779R03H |
| Synonyms | 2-((2,6-dichlorophenyl)amino)phenylacetoxyacetic acid,
aceclofenac,
Airtal,
Airtal Difucrem,
Aital,
Beofenac,
Biofenac,
Bristaflam,
Clanza CR,
Falcol,
Falcol Difucrem,
Gerbin,
Gerbin Difucrem,
Preservex,
Sanein,
Aceclofenac,
89796-99-6,
Preservex,
Aceclofenaco,
Aceclofenacum,
Airtal,
Aceclofenacum [Latin],
Aceclofenaco [Spanish],
UNII-RPK779R03H,
CHEBI:31159,
BRN 4884476,
C16H13Cl2NO4,
RPK779R03H,
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetoxy)acetic acid,
2-(o-(2,6-Dichloranilino)phenylacetoxy)essigsaeure,
MFCD00864296,
2-[(2,6-dichlorophenyl)amino]phenylacetoxyacetic acid,
PR-82/3,
NCGC00016957-01,
2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid,
Glycolic Acid [o-(2,6-Dichloroanilino)phenyl]acetate Ester,
Falcol,
Gerbin,
2-((2,6-Dichlorophenyl)amino)benzeneacetic acid carboxymethyl ester,
2-[(2,6-dichlorophenyl)amino]benzeneacetic acid carboxymethyl ester,
CAS-89796-99-6,
DSSTox_CID_25522,
DSSTox_RID_80928,
DSSTox_GSID_45522,
2-((2,6-dichlorophenyl)amino)phenylacetoxyacetic acid,
2-[(2',6'-dichlorophenyl)amino]phenylacetoxyacetic acid,
2-(2-(2-(2,6-dichlorophenylamino)phenyl)acetoxy)acetic acid,
Aceclofar,
Hifenac,
2-(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetoxy)acetic acid,
Glycolic acid, (o-(2,6-dichloroanilino)phenyl)acetate (ester),
2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid carboxymethyl ester;,
Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, carboxymethyl ester,
SMR000718629,
SR-01000802972,
Aceclofenac [BAN:INN],
Aceclofenac [INN:BAN],
Cincofen,
Tresquim,
Zerodol,
[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)oxy]acetic acid,
Clanza,
Aceclofenac betadex,
Aceclofenac (TN),
Prestwick_772,
AC1Q3RRC,
AC1Q3RRD,
Aceclofenac (JAN/INN),
Prestwick0_000175,
Prestwick1_000175,
Prestwick2_000175,
Prestwick3_000175,
ACMC-20b3n0,
AC1L2GS7,
SCHEMBL25734,
BSPBio_000069,
MLS001032069,
MLS001304028,
MLS002154226,
CHEMBL93645,
SPBio_001990,
BPBio1_000077,
DTXSID7045522,
Aceclofenac, >=98% (HPLC),
CTK5G3502,
HMS1568D11,
HMS2090G07,
HMS2095D11,
HMS2231B03,
HMS3371A10,
HMS3712D11,
BCP11932,
HY-B0634,
ZINC3805798,
Tox21_110710,
BBL010788,
BDBM50109016,
BG0006,
GP9829,
STK594349,
AKOS005516194,
Tox21_110710_1,
AB07468,
AC-5282,
Aceclofenac 1.0 mg/ml in Acetonitrile,
AN-3929,
API0001355,
CCG-213835,
CS-2869,
DB06736,
KS-5033,
MCULE-2034452601,
NCGC00016957-02,
NCGC00016957-03,
NCGC00016957-05,
AK163135,
AN-11172,
LS-28738,
SC-16690,
AB0012517,
TL8005786,
FT-0621715,
D01545,
J10014,
796A996,
I01-1305,
SR-01000802972-2,
SR-01000802972-3,
2-[2-(2,6-Dichloroanilino)phenylacetoxy]acetic Acid,
BRD-K68538666-001-03-2,
2-[(2,6-Dichlorophenyl)-amino]benzeneacetic Acid Carboxymethyl Ester,
Aceclofenac for peak identification, European Pharmacopoeia (EP) Reference Standard,
Bristaflam,
Biofenac,
Barracan,
Beofenac,
Sanein,
Aital,
Airtal Difucrem,
Falcol Difucrem,
Gerbin Difucrem,
Clanza CR,
D0T8VY,
KST-1A9120,
C16-H13-Cl2-N-O4,
CID71771,
AR-1A2017,
YT-919,
CS-O-07106,
A2484,
C056498,
Aceclofenac, 98%, NSAID. Cyclooxygenase inhibitor - 1G 1g,
954-67-6,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.183g/mol |
| Monoisotopic Mass | 353.022g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | Ⅲ |
| Precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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