Dataset
Naltrexone
Chemical Info
InChI | InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 |
---|---|
SMILES | Oc(c6)c(O5)c(c(c6)3)C(C1)(C45)C(O)(CCC(=O)4)C(C3)N(CC(C2)C2)C1 |
InChI Key | DQCKKXVULJGBQN-XFWGSAIBSA-N |
Molecular Formula | C20H23NO4 |
Exact Mass | 341.163 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-WA000762 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:49:41.891036 |
MetadataModified | 2024-01-11T22:49:42.040997 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL19019 | ChEMBL |
7465 | ChEBI |
DB00704 | DrugBank |
C07253 | KEGG Ligand |
REVIA | rxnorm |
NALTREXONE | rxnorm |
NALTREXONE HYDROCHLORIDE | rxnorm |
VIVITROL | rxnorm |
TREXAN | clinicaltrials |
REVIA | clinicaltrials |
EN-1639A | clinicaltrials |
VIVITROL | clinicaltrials |
NALTREXONE | clinicaltrials |
NALTREXONE HYDROCHLORIDE | clinicaltrials |
DTXSID4046313 | EPA CompTox Dashboard |
1765 | DrugCentral |
ZINC000000001773 | ZINC |
1639 | Guide to Pharmacology |
J9.044A | Nikkaji |
CETQAW | CCDC |
50000787 | BindingDB |
60212 | BindingDB |
NALTREXONE | DailyMed |
naltrexone | DailyMed |
HMDB0014842 | Human Metabolome Database |
15882 | Brenda |
CB9394737 | ChemicalBook |
LSM-3962 | LINCS |
PA450588 | PharmGKB |
14753731 | PubChem: Thomson Pharma |
16590-41-3 | ACToR |
5S6W795CQM | FDA SRS |
14875729 | PubChem: Thomson Pharma |
PD010071 | ProbesDrugs |
SCHEMBL34681 | SureChEMBL |
5360515 | PubChem |
MCULE-7032963403 | Mcule |
8699294 | eMolecules |
The data in this table is sourced from UniChem at EBI. |