Basic information
- CAS
85642-08-6- Standard SMILES
CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)c(I)c1- InChIKey
DKWLFFXBYKTKRM-UHFFFAOYSA-N- Molecular formula
- C25H30INO3
- Average molar mass
- 519.4 g/mol
- Monoisotopic mass
- 519.12704
Names & identifiers
- Preferred name
- (2-Butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3-iodophenyl)methanone
- IUPAC
- (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3-iodophenyl]methanone
- English name
- Mono-iodo amiodarone
- Molecular formula
- C25H30INO3
- Molecular weight
- 519.42
Names & synonyms
85642-08-6Deiodo AmiodaroneL-6355(2-butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3-iodophenyl)methanoneMonoiodoamiodaroneL 6355WC6I46P5XXCHEMBL461724Methanone, (2-butyl-3-benzofuranyl)(4-(2-(diethylamino)ethoxy)-3-iodophenyl)-DemonoiodoamiodaroneUNII-WC6I46P5XX(2-Butylbenzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3-iodophenyl}methanone
Show more names
Amiodarone EP Imp CMono-iodo amiodaroneAMiodarone EP IMpurity CAmiodarone Hydrochloride-impurity CAMiodarone IMpurity C (Deiodo IMpurity)Mono-iodo amiodarone HCl(Amiodarone impurity)2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3-iodophenyl ketone
Amiodarone hydrochloride impurity C [EP](2-Butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3-iodophenyl]methanoneC25H30INO3orb1705801SCHEMBL17635581BDBM18960DTXSID50234893DKWLFFXBYKTKRM-UHFFFAOYSA-N
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Boiling point
- 586.1 · 586.1±50.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 9.47 · 9.47±0.25(Predicted)
- form
- Oil
- color
- Colourless to Yellow
- Stability
- Light Sensitive
- Major Application
- pharmaceutical
- FDA UNII
- 6 I46P5XX · WC6I46P5XX
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315,H319,H335,H351,H361d,H362,H410
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07,GHS09
- Hazard statements
- H315,H319,H335,H351,H361d,H362,H410
- Precautionary statements
- P260-P263-P273-P302+P352-P305+P351+P338-P308+P313
Chemistry & industry
Applications
UsesAn intermediate of Amiodarone (A632950). Amiodarone EP Impurity C
Suppliers34 total
天津始加生物医药科技有限公司15022261580 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
惠州拓康生物科技有限公司+86 (0752) 222-7171, +86 15815821171
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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