This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- N-omega-nitro-L-arginine methyl ester
- DrugBank Accession Number
- DB12750
- Background
L-NAME has been investigated for the treatment of Hypotension and Spinal Cord Injury.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for N-omega-nitro-L-arginine methyl ester (DB12750)
- Weight
- Average: 233.228
Monoisotopic: 233.112403983 - Chemical Formula
- C7H15N5O4
- Synonyms
- L-NAME
- N-nitro-arginine methyl ester
- NG-nitro-L-arginine methyl ester
- NG-Nitroarginine methyl ester
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as arginine and derivatives. These are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Arginine and derivatives
- Alternative Parents
- Alpha amino acid esters / Nitroguanidines / Fatty acid esters / Nitramines / Methyl esters / Monocarboxylic acids and derivatives / Carboximidamides / Organopnictogen compounds / Organic zwitterions / Organic oxides show 4 more
- Substituents
- Aliphatic acyclic compound / Allyl-type 1,3-dipolar organic compound / Alpha-amino acid ester / Amine / Arginine or derivatives / Carbonyl group / Carboximidamide / Carboxylic acid ester / Fatty acid ester / Fatty acyl show 18 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- alpha-amino acid ester, L-arginine derivative (CHEBI:7549)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- V55S2QJN2X
- CAS number
- 50903-99-6
- InChI Key
- KCWZGJVSDFYRIX-YFKPBYRVSA-N
- InChI
- InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1
- IUPAC Name
- methyl (2S)-2-amino-5-(N'-nitrocarbamimidamido)pentanoate
- SMILES
- COC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O
References
- General References
- Not Available
- External Links
- KEGG Compound
- C04337
- PubChem Compound
- 39836
- PubChem Substance
- 347828939
- ChemSpider
- 36427
- BindingDB
- 50098937
- ChEBI
- 7549
- ChEMBL
- CHEMBL7890
- ZINC
- ZINC000015987659
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Orthostatic Hypotension / Spinal Cord Injuries 1 1 Completed Basic Science Cardiovascular Disease (CVD) / Cardiovascular Risk / Vasoconstriction 1 1 Recruiting Basic Science Cardiovascular Disease (CVD) / Cardiovascular Risk / Vasoconstriction 2 0 Recruiting Basic Science E Cigarette Use 1 Not Available Completed Basic Science Cardiovascular Disease (CVD) 1
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 0.698 mg/mL ALOGPS logP -0.76 ALOGPS logP -1.2 Chemaxon logS -2.5 ALOGPS pKa (Strongest Acidic) 10.95 Chemaxon pKa (Strongest Basic) 8.03 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 143.37 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 64.67 m3·mol-1 Chemaxon Polarizability 22.35 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 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]- 167.3847901 predictedDarkChem Lite v0.1.0 [M-H]- 153.7506 predictedDeepCCS 1.0 (2019) [M+H]+ 168.1998901 predictedDarkChem Lite v0.1.0 [M+H]+ 156.10658 predictedDeepCCS 1.0 (2019) [M+Na]+ 167.7656901 predictedDarkChem Lite v0.1.0 [M+Na]+ 162.01921 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:01 / Updated at June 12, 2020 16:53