Dataset
Amiodarone
Chemical Info
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 |
---|---|
SMILES | CCCCc(o2)c(c(c3)c(ccc3)2)C(=O)c(c1)cc(I)c(OCCN(CC)CC)c(I)1 |
InChI Key | IYIKLHRQXLHMJQ-UHFFFAOYSA-N |
Molecular Formula | C25H29I2NO3 |
Exact Mass | 645.024 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001190 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:50:33.660245 |
MetadataModified | 2024-01-11T22:50:33.823838 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
MCULE-4156227717 | Mcule |
J7.829H | Nikkaji |
18957 | BindingDB |
AMIODARONE | DailyMed |
229155 | Brenda |
229156 | Brenda |
AMIODARONE HYDROCHLORIDE | rxnorm |
PACERONE | rxnorm |
CORDARONE | rxnorm |
AMIODARONE | rxnorm |
NEXTERONE | rxnorm |
PACERONE | clinicaltrials |
NEXTERONE | clinicaltrials |
SKF 33134-A | clinicaltrials |
SKF-33134-A | clinicaltrials |
AMIODARONE | clinicaltrials |
AMIODARONE HYDROCHLORIDE | clinicaltrials |
L-3428 | clinicaltrials |
CORDARONE | clinicaltrials |
HY-14187 | MedChemExpress |
BBI | PDBe |
DTXSID7022592 | EPA CompTox Dashboard |
176 | DrugCentral |
ZINC000003830212 | ZINC |
DB01118 | DrugBank |
C06823 | KEGG Ligand |
CHEMBL633 | ChEMBL |
2663 | ChEBI |
2566 | Guide to Pharmacology |
901372 | eMolecules |
2157 | PubChem |
PD009796 | ProbesDrugs |
amiodarone | Atlas |
N3RQ532IUT | FDA SRS |
14765719 | PubChem: Thomson Pharma |
1951-25-3 | ACToR |
SCHEMBL16284 | SureChEMBL |
PA448383 | PharmGKB |
LSM-2379 | LINCS |
amiodarone | DailyMed |
MolPort-003-703-670 | MolPort |
HMDB0015250 | Human Metabolome Database |
5758 | Brenda |
CB5310616 | ChemicalBook |
The data in this table is sourced from UniChem at EBI. |