Dataset
Amitryptiline
Chemical Info
InChI | InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3 |
---|---|
SMILES | CN(C)CCC=C(c21)c(c3)c(ccc3)CCc(cccc2)1 |
InChI Key | KRMDCWKBEZIMAB-UHFFFAOYSA-N |
Molecular Formula | C20H23N |
Exact Mass | 277.183 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-Fiocruz-FIO00474 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:43:24.012194 |
MetadataModified | 2024-01-11T16:43:24.223339 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
ENDEP | clinicaltrials |
ELAVIL | clinicaltrials |
LAROXYL | clinicaltrials |
DTXSID7022594 | EPA CompTox Dashboard |
180 | DrugCentral |
ZINC000000968257 | ZINC |
50020712 | BindingDB |
AMITRIPTYLINE | DailyMed |
AMITRIPTYLINE HYDROCHLORIDE | rxnorm |
LIMBITROL | rxnorm |
AMITRIPTYLINE | rxnorm |
ELAVIL | rxnorm |
ETRAVIL | clinicaltrials |
AMITRIL | clinicaltrials |
AMITRIPTYLINE | clinicaltrials |
AMITRIPTYLINE HYDROCHLORIDE | clinicaltrials |
200 | Guide to Pharmacology |
amitriptyline | DailyMed |
HMDB0014466 | Human Metabolome Database |
24403 | Brenda |
211300 | Brenda |
4978 | Brenda |
MEJHAN | CCDC |
J4.103C | Nikkaji |
MCULE-3537115467 | Mcule |
PA448385 | PharmGKB |
SCHEMBL7824 | SureChEMBL |
LSM-3190 | LINCS |
1806D8D52K | FDA SRS |
amitriptyline | Atlas |
2160 | PubChem |
PD010103 | ProbesDrugs |
50-48-6 | ACToR |
14775196 | PubChem: Thomson Pharma |
DB00321 | DrugBank |
2666 | ChEBI |
TP0 | PDBe |
C06824 | KEGG Ligand |
CHEMBL629 | ChEMBL |
739635 | eMolecules |
The data in this table is sourced from UniChem at EBI. |