Basic information
- CAS
68-90-6- Standard SMILES
CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1- InChIKey
CZCHIEJNWPNBDE-UHFFFAOYSA-N- Molecular formula
- C17H12I2O3
- Average molar mass
- 518.08 g/mol
- Monoisotopic mass
- 517.88759
Overview
Benziodarone is an aromatic ketone.
Names & identifiers
- Preferred name
- Benziodarone
- IUPAC
- (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone
- English name
- BENZIODARONE
- Molecular formula
- C17H12I2O3
- Molecular weight
- 518.08
Names & synonyms
BENZIODARONE68-90-6AmplivixL 2329BenziodaronumBenciodaronaDTXSID104613475CL65GTYRNSC-82133L-2329DTXCID9026134RefChem:565121
Show more names
l2329DilafalgocorVasilarcarofam2329labaz
4-(2-ethyl-1-benzofuran-3-carbonyl)-2,6-diiodophenol2-ethyl-3-benzofuranyl-4-hydroxy-3,5-diiodophenyl ketoneC01DX04200-695-2CardivixDilafuraneRetrangorCorofam
Database identifiers
- CAS
68-90-6- PubChem CID
- 6237
- DTXSID
DTXSID1046134- ChEMBL
CHEMBL232201- ChEBI
CHEBI:135814- UNII
- 75CL65GTYR
- EC Number
- 200-695-2
- Nikkaji
- J4.861E
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 167 ° · 167°
- Density
- 1.9173 · 1.9173 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- Beige
- Water Solubility
- 5.881 mg/L · 5.881mg/L(20 ºC)
- CAS DataBase Reference
- 68 · 68-90-6
- FDA UNII
- 75 CL65GTYR · 75CL65GTYR
- ATC code
- 1 DX04,C01DX54 · C01DX04,C01DX54
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 501 · P501-P270-P264-P301+P310+P330-P405
- HS Code
- 2906.19 · 2906.19.5000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Other Safety InformationIMAP assessments - Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Benziodarone
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
Safety data
- hs_code
- 2906.19.5000
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P501-P270-P264-P301+P310+P330-P405
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological ClassificationGout suppressants that act directly on the renal tubule to increase the excretion of uric acid, thus reducing its concentrations in plasma.
Applications
UsesBenziodarone is a uricosuric drug,it is used to effectively to control hyperuricemia in renal transplantation.
Upstream & downstream products
Upstream raw materials
Suppliers24 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Additional notes
DefinitionChEBI: Benziodarone is an aromatic ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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