Basic information
- CAS
148870-57-9- Standard SMILES
COc1cc2c(cc1OC)CC(=O)N(CCCI)C=C2- InChIKey
VWPSZWNLEFZFQB-UHFFFAOYSA-N- Molecular formula
- C15H18INO3
- Average molar mass
- 387.21 g/mol
- Monoisotopic mass
- 387.03314144
Names & identifiers
- Preferred name
- 1,3-Dihydro-3-(3-iodopropyl)-7,8-dimethoxy-2H-3-benzazepin-2-one
- IUPAC
- 3-(3-iodopropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
- English name
- 7,8-Dimethoxy-3-(3-iodopropyl)-1,3-dihydro-2H-3-benzazepin-2-one
- Molecular formula
- C15H18INO3
- Molecular weight
- 387.21
Names & synonyms
148870-57-91,3-Dihydro-3-(3-iodopropyl)-7,8-dimethoxy-2H-3-benzazepin-2-oneRefChem:414454604-658-57,8-Dimethoxy-3-(3-iodopropyl)-1,3-dihydro-2H-3-benzazepin-2-one3-(3-iodopropyl)-7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one3-(3-IODOPROPYL)-7,8-DIMETHOXY-1H-3-BENZAZEPIN-2-ONEMFCD099554033-(3-iodopropyl)-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one3-(3-iodopropyl)-7,8-dimethoxy-2,3-dihydro-1H-3-benzazepin-2-oneIvabradine int7,8-Dimethoxy-3-[3-iodopropyl]-1,3-dihydro-2H-3-benzazepin-2-one
Show more names
Ivabradine Impurity g7,8-DiMethoxy-3-(3-iodopropyl)-1,3-dihydro-2H3-(3-IODOPROPYL)-7,8-DIMETHOXY-1,3-DIHYDRO-2H-3-BENZAPINE-2-ONE7,8-DiMethoxy-3-(3-iodopropyl)-1,3-dihydro-2H-3-benzazepin-2-on3-(3-iodopropyl)-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2...
VWPSZWNLEFZFQB-UHFFFAOYSA-NIvabradine Iodo Impurity2H-3-Benzazepin-2-one,1,3-dihydro-3-(3-iodopropyl)-7,8-dimethoxy-SCHEMBL2820668DTXSID105979967,8-Dimethoxy-3-(3-iodopropyl)3-(3-iodopropyl)-7,8-dimethoxy-1,3-dihydro-2H-benzo[d]azepin-2-oneAC4364
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 504.5 · 504.5±50.0 °C(Predicted)
- Density
- 1.513 · 1.513
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- -1.23 · -1.23±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- REACH Registrations
- Active
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 ClassificationNot Classified
Hazard information
Regulatory InformationStatus: Active Update: 23-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25027
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州朗恩生物科技有限公司13921996628 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
3 records
Compound notes
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