Dataset
Nitrazepam
Chemical Info
InChI | InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19) |
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SMILES | O=N(=O)c(c3)cc(c2c3)C(=NCC(=O)N2)c(c1)cccc1 |
InChI Key | KJONHKAYOJNZEC-UHFFFAOYSA-N |
Molecular Formula | C15H11N3O3 |
Exact Mass | 281.080 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000754 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:50:04.434345 |
MetadataModified | 2024-01-11T22:50:04.600387 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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NITRAZEPAM | clinicaltrials |
DTXSID5023372 | EPA CompTox Dashboard |
NHPBZO | CCDC |
ZINC000004311748 | ZINC |
50020856 | BindingDB |
NITRAZEPAM | rxnorm |
DB01595 | DrugBank |
CHEMBL13209 | ChEMBL |
SAM001246711 | NIH Clinical Collection |
C07487 | KEGG Ligand |
20179957 | NMRShiftDB |
7581 | ChEBI |
4506 | PubChem |
MCULE-3394241963 | Mcule |
SCHEMBL35202 | SureChEMBL |
592671 | eMolecules |
HMDB0015534 | Human Metabolome Database |
1945 | DrugCentral |
MTBLC7581 | Metabolights |
34568 | Brenda |
14824476 | PubChem: Thomson Pharma |
PD003070 | ProbesDrugs |
9CLV70W7HS | FDA SRS |
PA10242 | PharmGKB |
146-22-5 | ACToR |
LSM-5681 | LINCS |
The data in this table is sourced from UniChem at EBI. |