Dataset
Ketamine
Chemical Info
InChI | InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1 |
---|---|
SMILES | CNC(C2)(C(=O)CCC2)c(c1)c(Cl)ccc1 |
InChI Key | YQEZLKZALYSWHR-CYBMUJFWSA-N |
Molecular Formula | C13H16ClNO |
Exact Mass | 237.092 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-WA001436 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:44:38.175408 |
MetadataModified | 2024-01-11T22:44:38.330124 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
XURCES | CCDC |
J238.629A | Nikkaji |
MCULE-6886868694 | Mcule |
Y2RI13H7VW | FDA SRS |
DTXSID2048747 | EPA CompTox Dashboard |
9153 | Guide to Pharmacology |
580604 | ChEBI |
CHEMBL467505 | ChEMBL |
CB91270269 | ChemicalBook |
644025 | PubChem |
RKE | PDBe |
SCHEMBL16104 | SureChEMBL |
33643-49-1 | ACToR |
PD046165 | ProbesDrugs |
15391275 | PubChem: Thomson Pharma |
ZINC000036294079 | ZINC |
The data in this table is sourced from UniChem at EBI. |