Strychnine
Star1
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Strychnine
- DrugBank Accession Number
- DB15954
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 334.419
Monoisotopic: 334.168127956 - Chemical Formula
- C21H22N2O2
- Synonyms
- Stricnina
- Strychnidin-10-one
- Strychnin
- External IDs
- 200-319-7
- NSC-5365
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Strychnine nitrate O642E96711 66-32-0 PCGVPMHGSJFFTI-ZEYGOCRCSA-N Strychnine sulfate FA486DV76S 60-41-3 GOOCRIHPADOQAS-ZNUXJMJHSA-N
Categories
- Drug Categories
- Alkaloids
- Central Nervous System Agents
- Central Nervous System Stimulants
- Compounds used in a research, industrial, or household setting
- Convulsants
- Glycine Agents
- Heterocyclic Compounds, Fused-Ring
- Indole Alkaloids
- Indoles
- Indolizidines
- Indolizines
- Neurotransmitter Agents
- Noxae
- Poisons
- Secologanin Tryptamine Alkaloids
- Toxic Actions
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- H9Y79VD43J
- CAS number
- 57-24-9
- InChI Key
- QMGVPVSNSZLJIA-FVWCLLPLSA-N
- InChI
- InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
- IUPAC Name
- (1R,11S,18S,20R,21R,22S)-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2,4,6,14-tetraen-9-one
- SMILES
- [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=CC=CC=C7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H]
References
- General References
- Not Available
- External Links
- KEGG Compound
- C06522
- ChemSpider
- 389877
- BindingDB
- 50225707
- 66422
- ChEBI
- 28973
- ChEMBL
- CHEMBL227934
- ZINC
- ZINC000000119434
- PDBe Ligand
- SY9
- Wikipedia
- Strychnine
- PDB Entries
- 2xys / 3jad / 5cfb / 5o8t / 5oa0 / 5oal / 5obg / 7kuy / 7l31 / 7tu9 … show 1 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 1.72 mg/mL ALOGPS logP 1.68 ALOGPS logP 0.93 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 17.24 Chemaxon pKa (Strongest Basic) 9.27 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 32.78 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 94.51 m3·mol-1 Chemaxon Polarizability 35.9 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0009000000-39dfbebab93d2e29cd64 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0009000000-a55223bdc396274af7d2 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0009000000-1c063d9445dc0d70d11e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0009000000-ea183ea92a58464e6ebe Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0029000000-bf8afe52d13ba0bd63e4 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0aou-0049000000-735408aa50c99bf81a7c Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 167.1860833 predictedDarkChem Lite v0.1.0 [M-H]- 177.8607201 predictedDarkChem Lite v0.1.0 [M-H]- 172.01817 predictedDeepCCS 1.0 (2019) [M+H]+ 173.1991068 predictedDarkChem Lite v0.1.0 [M+H]+ 178.4607201 predictedDarkChem Lite v0.1.0 [M+H]+ 174.33107 predictedDeepCCS 1.0 (2019) [M+Na]+ 189.4414996 predictedDarkChem Lite v0.1.0 [M+Na]+ 178.1187201 predictedDarkChem Lite v0.1.0 [M+Na]+ 180.5663 predictedDeepCCS 1.0 (2019)
Drug created at November 26, 2020 20:34 / Updated at February 13, 2021 11:03