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| CAS Number | 3562-84-3 |
| Catalog Number | AG003AX3(AGN-PC-0JK67C) |
| Chemical Name | Benzbromarone |
| EC Number | 222-630-7 |
| IUPAC Name | (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone |
| InChI | InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 |
| InChI Key | WHQCHUCQKNIQEC-UHFFFAOYSA-N |
| MDL Number | MFCD00078962 |
| Molecular Formula | C17H12Br2O3 |
| Molecular Weight | 424.0834 |
| SMILES | C(=O)(c1c2c(oc1CC)cccc2)c1cc(Br)c(c(c1)Br)O |
| UNII | 4POG0RL69O |
| Synonyms | Acifugan,
AL, Benzbromaron,
Benzbromaron,
Benzbromaron AL,
Benzbromaron ratiopharm,
Benzbromaron-ratiopharm,
Benzbromarone,
Besuric,
Desuric,
Narcaricin,
Urinorm,
benzbromarone,
3562-84-3,
Desuric,
Benzbromaron,
Urinorm,
Normurat,
Uricovac,
Minuric,
Exurate,
Hipurik,
Azubromaron,
Narcaricin,
L 2214-Labaz,
Uroleap (TN),
Besuric,
Harolan,
MJ 10061,
Methanone, (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-,
3,5-Dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone,
2-Ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuran,
L 2214,
Benzbromaronum [INN-Latin],
Benzobromarona [INN-Spanish],
NSC 85433,
(3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone,
Benzbromarone [USAN:INN:BAN],
L-2214,
L2214-Labaz,
Max-uric,
UNII-4POG0RL69O,
NSC85433,
KETONE, 3,5-DIBROMO-4-HYDROXYPHENYL 2-ETHYL-3-BENZOFURANYL,
C17H12Br2O3,
L2214,
EINECS 222-630-7,
BRN 0273668,
4POG0RL69O,
3-(3,5-Dibromo-4-hydroxybenzoyl)-2-ethylbenzofuran,
CPD000058310,
Benzofuran, 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-,
MLS000028522,
MLS000737128,
CHEBI:3023,
CHEMBL388590,
(2-Ethyl-3-benzofuranyl)-(3,5-dibrom-4-hydroxyphenyl)keton,
(3,5-Dibromo-4-hydroxyphenyl)(2-ethylbenzofuran-3-yl)methanone,
WHQCHUCQKNIQEC-UHFFFAOYSA-N,
ML054,
MFCD00078962,
NSC-85433,
Benzbromarone, 98%,
NCGC00013895-08,
Benzbromaronum,
Benzobromarona,
3, 5-Dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone,
3,5-Dibromo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl Ketone,
3-[3,5-DIBROMO-4-HYDROXYBENZOYL]-2-ETHYLBENZOFURAN,
Acifugan,
SMR000058310,
(3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)methanone,
CAS-3562-84-3,
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone,
DSSTox_CID_2652,
DSSTox_RID_76675,
DSSTox_GSID_22652,
2-Ethyl-3-(3,5-dibromo-4-hydroxybenzoyl)benzofuran,
(3,5-dibromo-4-hydroxy-phenyl)-(2-ethylbenzofuran-3-yl)methanone,
SR-01000003082,
3,5-dibromo-4-hydroxyphenyl 2-ethylbenzo[b]furan-3-yl ketone,
Benzbromarone,(S),
NCI85433,
Prestwick_709,
Benzbromarone(USAN),
TPDI,
Opera_ID_1282,
Prestwick0_000370,
Prestwick1_000370,
Prestwick2_000370,
Prestwick3_000370,
AC1L1DG0,
cid_2333,
NCIStruc1_001498,
NCIStruc2_001681,
Oprea1_140235,
SCHEMBL48993,
BSPBio_000499,
MLS001074105,
MLS001424143,
SPBio_002420,
BPBio1_000549,
DTXSID4022652,
CTK8F7960,
AOB1168,
Benzbromarone, analytical standard,
Benzbromarone (JP17/USAN/INN),
HMS1569I21,
HMS2052K05,
HMS2093J04,
HMS2096I21,
HMS2230D20,
HMS3394K05,
HMS3652H15,
HMS3713I21,
Pharmakon1600-01505971,
ZINC608205,
BCP07515,
EX-A1131,
HY-B1135,
Tox21_110041,
BDBM50158460,
CCG-37198,
NCGC00013895,
NSC759281,
s4221,
SBB057006,
Benzbromarone 1.0 mg/ml in Methanol,
AKOS015895856,
Tox21_110041_1,
AC-6162,
ACN-049975,
API0001617,
CS-4740,
DB12319,
KS-1292,
MCULE-5907152599,
NC00334,
NSC-759281,
KS-0000108Y,
NCGC00013895-01,
NCGC00013895-02,
NCGC00013895-03,
NCGC00013895-04,
NCGC00013895-05,
NCGC00013895-06,
NCGC00013895-07,
NCGC00013895-09,
NCGC00022066-04,
AK468672,
AN-10317,
H503,
LS-87131,
MJ-10061,
NCI60_041884,
SAM001246877,
SC-09288,
SC-27292,
SC-36260,
SBI-0055383.P002,
AM20040270,
B4099,
FT-0083530,
FT-0602164,
ST50993903,
SW196858-4,
UNM000001228903,
D01056,
562B843,
A822914,
I06-1261,
SR-01000003082-5,
SR-01000003082-6,
BRD-K11717138-001-03-0,
BRD-K11717138-001-16-2,
Ketone,5-dibromo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl,
Benzbromarone, certified reference material, TraceCERT(R),
2,6-dibromo-4-[(2-ethyl-1-benzofuran-3-yl)carbonyl]phenol,
Benzbromarone, European Pharmacopoeia (EP) Reference Standard,
Methanone,5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-,
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-3-benzofuranyl)methanone,
(3,5-Dibromo-4-hydroxyphenyl)-(2-ethylbenzofuran-3-yl)methanone,
(3,5-Dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone #,
5,10,15-Triphenyl-10,15-dihydro-5H -diindolo[3,2-a:3',2'-c]carbazole,
Methanone, (3, 5-dibromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-,
[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone,
879713-04-9,
Benzbromaron AL,
Uroleap,
AL, Benzbromaron,
Benzbromaron ratiopharm,
Benzbromaron-ratiopharm,
Methanone, (3,
Benzbromaronratiopharm,
Benzbromarone Aliud Brand,
Benzbromarone Sanfer Brand,
Benzbromarone Heumann Brand,
D0Z3DY,
Aliud Brand of Benzbromarone,
Benzbromarone ratiopharm Brand,
Sanfer Brand of Benzbromarone,
Heumann Brand of Benzbromarone,
Z-L-Alanine N-carboxyanhydride,
Benzbromarone [USAN:BAN:INN],
ratiopharm Brand of Benzbromarone,
CID2333,
Benzbromarone (JP15/USAN/INN),
C17-H12-Br2-O3,
1-CYCLOPENTYL-4-METHOXYBENZENE,
Sanofi Winthrop Brand of Benzbromarone,
CS-O-11606,
B1673,
5-18-02-00335 (Beilstein Handbook Reference),
A16201,
D001553,
2-ethyl-3-(3,5-dibromo-4-hydroxybenzoyl)oxaindene,
2-ethyl-3-benzofuryl 3,5-dibromo-4-hydroxyphenyl ketone,
125814-23-5,
1507-97-7,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 423.913g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 424.088g/mol |
| Monoisotopic Mass | 421.915g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | Ⅲ |
| Precautionary statements | P261-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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| Test: | Result: |

