3-(3-Iodopropyl)-7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one - CAS 148870-57-9
Catalog: |
BB010341 |
Product Name: |
3-(3-Iodopropyl)-7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one |
CAS: |
148870-57-9 |
Synonyms: |
3-(3-iodopropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one; 3-(3-iodopropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one |
IUPAC Name: | 3-(3-iodopropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one |
Description: | 3-(3-Iodopropyl)-7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one (CAS# 148870-57-9 ) is a useful research chemical. |
Molecular Weight: | 387.21 |
Molecular Formula: | C15H18INO3 |
Canonical SMILES: | COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCI)OC |
InChI: | InChI=1S/C15H18INO3/c1-19-13-8-11-4-7-17(6-3-5-16)15(18)10-12(11)9-14(13)20-2/h4,7-9H,3,5-6,10H2,1-2H3 |
InChI Key: | VWPSZWNLEFZFQB-UHFFFAOYSA-N |
Boiling Point: | 504.5 °C at 760 mmHg |
Density: | 1.513 g/cm3 |
MDL: | MFCD09955403 |
LogP: | 2.82220 |
Publication Number | Title | Priority Date |
WO-2019202611-A1 | An improved process for the synthesis of ivabradine and its pharmaceutically acceptable salts | 20180421 |
EP-3101010-A1 | New method for the preparation of highly pure ivabradine base and salts thereof | 20150603 |
US-10221141-B2 | Method for the preparation of highly pure ivabradine base and salts thereof | 20150603 |
US-2018162820-A1 | New method for the preparation of highly pure ivabradine base and salts thereof | 20150603 |
WO-2016193386-A2 | New method for the preparation of highly pure ivabradine base and salts thereof | 20150603 |
Complexity: | 361 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 387.03314 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 387.03314 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 38.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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