Styramate
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Styramate
- DrugBank Accession Number
- DB13357
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 181.191
Monoisotopic: 181.073893218 - Chemical Formula
- C9H11NO3
- Synonyms
- Styramate
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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Styramate. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Styramate. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Styramate. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Styramate. Alfentanil The risk or severity of CNS depression can be increased when Alfentanil is combined with Styramate. - Food Interactions
- Not Available
Categories
- ATC Codes
- M03BA04 — Styramate
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Not Available
- Direct Parent
- Benzene and substituted derivatives
- Alternative Parents
- Carbamate esters / Secondary alcohols / Organic carbonic acids and derivatives / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds / Aromatic alcohols
- Substituents
- Alcohol / Aromatic alcohol / Aromatic homomonocyclic compound / Carbamic acid ester / Carbonic acid derivative / Carbonyl group / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound / Organic oxide
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- CBK7Y28SP3
- CAS number
- 94-35-9
- InChI Key
- OCSOHUROTFFTFO-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H11NO3/c10-9(12)13-6-8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)
- IUPAC Name
- 2-hydroxy-2-phenylethyl carbamate
- SMILES
- NC(=O)OCC(O)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 6918
- 89818
- ChEBI
- 134820
- ChEMBL
- CHEMBL2104534
- Wikipedia
- Styramate
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 5.83 mg/mL ALOGPS logP 0.34 ALOGPS logP 0.68 Chemaxon logS -1.5 ALOGPS pKa (Strongest Acidic) 13.66 Chemaxon pKa (Strongest Basic) -3.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 72.55 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 46.66 m3·mol-1 Chemaxon Polarizability 18.35 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0a4i-8900000000-8eff28c6182a2ce0ba39 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0uk9-0900000000-6186ac37d1787bcc4920 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00kf-9500000000-149f5a03340d152aa2e0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-9600000000-82ec5be63585d8fd77c7 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-3ae56711c10131349718 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0udl-9600000000-5752a138e4de65586473 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-4e5cbd55737a42680dd4 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]- 133.03111 predictedDeepCCS 1.0 (2019) [M+H]+ 135.93677 predictedDeepCCS 1.0 (2019) [M+Na]+ 144.93832 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54