| SpectraBase Spectrum ID |
JGdLClBmNv6 |
| Name |
Amiodarone |
| CAS Registry Number |
1951-25-3 |
| Classification |
Pharmaceutical drug, antiarrhythmic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
645.023683795 u |
| Formula |
C25H29I2NO3 |
| InChI |
InChI=1S/C25H29I2NO3/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 |
| InChIKey |
IYIKLHRQXLHMJQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
645.320 g/mol |
| Nominal Mass |
645 u |
| Quality |
752 |
| SMILES |
C=1(C=2C(OC1CCCC)=CC=CC2)C(C=1C=C(C(=C(C1)I)OCCN(CC)CC)I)=O |
| SPLASH |
splash10-000i-9011000000-fbf25a4956ea442325f7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Amiodaron
Amiodarona
Amiodaronum
(2-butylbenzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone |
| Technique |
DI/MS |
| Wiley ID |
DD2024_000145 |
