Compound Summary
Amiodarone hydrochloride
Compound Information
Amiodarone hydrochloride
Compound Name: | Amiodarone hydrochloride |
Compound CID: | 441325 |
Synonyms: | Amiodarone hydrochloride |
Iupac Name: | (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride |
InChI: | InChI=1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H |
InChIKey: | ITPDYQOUSLNIHG-UHFFFAOYSA-N |
Canonical Smiles: | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl |
Isomeric Smiles: | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl |
Molecular Weight: | 681.8 |
Molecular Formula: | C25H30ClI2NO3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Amiodarone hydrochloride
Molecular Weight: | 681.8 |
Molecular Formula: | C25H30ClI2NO3 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 11 |
Heavy Atom Count: | 32 |
Complexity: | 547 |
Synonyms
Amiodarone hydrochloride
Experimental Data
Amiodarone hydrochloride
Experimental Data Visualization
Amiodarone hydrochloride
Statistics Data
Amiodarone hydrochloride
Statistics Data Visualization
Amiodarone hydrochloride
