NAV

Tidiacic arginine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Tidiacic arginine
DrugBank Accession Number
DB13748
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 351.38
Monoisotopic: 351.12125459
Chemical Formula
C11H21N5O6S
Synonyms
Not Available
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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

ATC Codes
A05BA07 — Tidiacic arginine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
L-alpha-amino acids
Alternative Parents
Fatty acids and conjugates / Dicarboxylic acids and derivatives / Guanidines / Amino acids / Propargyl-type 1,3-dipolar organic compounds / Carboxylic acids / Carboximidamides / Organopnictogen compounds / Organic oxides / Monoalkylamines
show 2 more
Substituents
Aliphatic heteromonocyclic compound / Amine / Amino acid / Carbonyl group / Carboximidamide / Carboxylic acid / Dicarboxylic acid or derivatives / Fatty acid / Guanidine / Hydrocarbon derivative
show 11 more
Molecular Framework
Not Available
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
A9539XWW0P
CAS number
30986-62-0
InChI Key
LUCWYYXUZVULSK-WCCKRBBISA-N
InChI
InChI=1S/C6H14N4O2.C5H7NO4S/c7-4(5(11)12)2-1-3-10-6(8)9;7-4(8)2-1-11-3(6-2)5(9)10/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3,6H,1H2,(H,7,8)(H,9,10)/t4-;/m0./s1
IUPAC Name
(2S)-2-amino-5-carbamimidamidopentanoic acid; 1,3-thiazolidine-2,4-dicarboxylic acid
SMILES
OC(=O)C1CSC(N1)C(O)=O.N[C@@H](CCCNC(N)=N)C(O)=O

References

General References
Not Available
ChemSpider
142008
ChEMBL
CHEMBL3707384
Wikipedia
Tidiacic

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility20.6 mg/mLALOGPS
logP-2ALOGPS
logP-3.2Chemaxon
logS-0.93ALOGPS
pKa (Strongest Acidic)2.41Chemaxon
pKa (Strongest Basic)12.41Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area125.22 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity53.92 m3·mol-1Chemaxon
Polarizability17.79 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-171.3374
predicted
DeepCCS 1.0 (2019)
[M+H]+173.6954
predicted
DeepCCS 1.0 (2019)
[M+Na]+179.78856
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at June 12, 2020 16:53