This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Morpholine
- DrugBank Accession Number
- DB13669
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Morpholine (DB13669)
- Weight
- Average: 87.1204
Monoisotopic: 87.068413915 - Chemical Formula
- C4H9NO
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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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
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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
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Ingredient UNII CAS InChI Key Morpholine salicylate G52K1S38LW 147-90-0 MECVOSKQBMPUFG-UHFFFAOYSA-N
Categories
- ATC Codes
- N02BA08 — Morpholine salicylate
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Oxazinanes
- Sub Class
- Morpholines
- Direct Parent
- Morpholines
- Alternative Parents
- Oxacyclic compounds / Dialkylamines / Dialkyl ethers / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
- Substituents
- Aliphatic heteromonocyclic compound / Amine / Azacycle / Dialkyl ether / Ether / Hydrocarbon derivative / Morpholine / Organic nitrogen compound / Organic oxygen compound / Organonitrogen compound
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- morpholines, saturated organic heteromonocyclic parent (CHEBI:34856)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8B2ZCK305O
- CAS number
- 110-91-8
- InChI Key
- YNAVUWVOSKDBBP-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
- IUPAC Name
- morpholine
- SMILES
- C1COCCN1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0031581
- KEGG Compound
- C14452
- ChemSpider
- 13837537
- 1368870
- ChEBI
- 34856
- ChEMBL
- CHEMBL276518
- ZINC
- ZINC000001699948
- PDBe Ligand
- 6LR
- Wikipedia
- Morpholine
- PDB Entries
- 5jo0 / 6yx4 / 7qd3
Clinical Trials
- Clinical Trials
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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 691.0 mg/mL ALOGPS logP -0.75 ALOGPS logP -0.41 Chemaxon logS 0.9 ALOGPS pKa (Strongest Basic) 8.51 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 21.26 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 23.77 m3·mol-1 Chemaxon Polarizability 9.47 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 106.4310406 predictedDarkChem Lite v0.1.0 [M-H]- 106.3693406 predictedDarkChem Lite v0.1.0 [M-H]- 122.325714 predictedDeepCCS 1.0 (2019) [M+H]+ 107.1874406 predictedDarkChem Lite v0.1.0 [M+H]+ 107.2171406 predictedDarkChem Lite v0.1.0 [M+H]+ 125.12371 predictedDeepCCS 1.0 (2019) [M+Na]+ 106.7405406 predictedDarkChem Lite v0.1.0 [M+Na]+ 106.7088406 predictedDarkChem Lite v0.1.0 [M+Na]+ 133.2622 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:46 / Updated at June 12, 2020 16:53