Dataset
Nalbuphine
Chemical Info
InChI | InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1 |
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SMILES | C(C1)CC1CN(C6)C(C4)C(O)(C5)C(C6)(C(C(O)C5)2)c(c34)c(c(O)cc3)O2 |
InChI Key | NETZHAKZCGBWSS-CEDHKZHLSA-N |
Molecular Formula | C21H27NO4 |
Exact Mass | 357.194 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-WA001515 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:50:32.090085 |
MetadataModified | 2024-01-11T22:50:32.261796 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
5311304 | PubChem |
PD009692 | ProbesDrugs |
L2T84IQI2K | FDA SRS |
DB00844 | DrugBank |
14828107 | PubChem: Thomson Pharma |
20594-83-6 | ACToR |
SCHEMBL3766 | SureChEMBL |
14828108 | PubChem: Thomson Pharma |
LSM-3477 | LINCS |
nalbuphine | DailyMed |
HMDB0014982 | Human Metabolome Database |
147356 | Brenda |
CHEMBL895 | ChEMBL |
C07251 | KEGG Ligand |
7454 | ChEBI |
50105085 | BindingDB |
J14.212C | Nikkaji |
1663 | Guide to Pharmacology |
1874 | DrugCentral |
DTXSID8023345 | EPA CompTox Dashboard |
ZINC000003812989 | ZINC |
NALBUPHINE | DailyMed |
NUBAIN | clinicaltrials |
NALBUPHINE | rxnorm |
NALBUPHINE HYDROCHLORIDE | rxnorm |
NALBUPHINE | clinicaltrials |
NALBUPHINE HYDROCHLORIDE | clinicaltrials |
EN-2234A | clinicaltrials |
The data in this table is sourced from UniChem at EBI. |