NAV

Acetylcysteine amide

Identification

Generic Name
Acetylcysteine amide
DrugBank Accession Number
DB14480
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 162.21
Monoisotopic: 162.046298744
Chemical Formula
C5H10N2O2S
Synonyms
  • N-Acetyl cysteine amide
  • N-Acetyl-cysteine-amide
  • N-Acetyl-L-cysteinamide
  • N-Acetyl-L-cysteine amide
  • N-Acetylcysteinamide
  • N-Acetylcysteine amide
  • Nac amide
  • NACA
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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

Products

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Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
PuralorAcetylcysteine amide (5 mg/1) + 1-(c14-c18 esteroyl)-2-docosahexanoyl-sn-glycero-3-phosphocholine (5 mg/1) + 1-(c14-c18 esteroyl)-2-docosahexanoyl-sn-glycero-3-phosphoethanolamine (2.5 mg/1) + Ascorbic acid (25 mg/1) + Cholecalciferol (100 [iU]/1) + Citric acid (1.6 mg/1) + Cobamamide (2 mg/1) + Egg phospholipids (42.5 mg/1) + Folic acid (42.5 mg/1) + Gastric intrinsic factor (2.5 mg/1) + Magnesium L-threonate (2.5 mg/1) + Leucovorin (3 mg/1) + Levomefolic acid (0.4 mg/1) + Magnesium glycinate (1 mg/1) + Niacin (0.5 mg/1) + Pantethine (2.5 mg/1) + Papain (20 mg/1) + Riboflavin (0.5 mg/1) + Sodium citrate (0.8 mg/1) + Thiamine chloride (0.5 mg/1)Tablet, chewableOralCenturion Labs2014-01-012017-09-20US flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Cysteine and derivatives / Acetamides / Secondary carboxylic acid amides / Primary carboxylic acid amides / Alkylthiols / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Acetamide / Aliphatic acyclic compound / Alkylthiol / Carbonyl group / Carboxamide group / Cysteine or derivatives / Hydrocarbon derivative / N-acyl-alpha amino acid or derivatives / Organic nitrogen compound / Organic oxide
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4N69717RKW
CAS number
38520-57-9
InChI Key
UJCHIZDEQZMODR-BYPYZUCNSA-N
InChI
InChI=1S/C5H10N2O2S/c1-3(8)7-4(2-10)5(6)9/h4,10H,2H2,1H3,(H2,6,9)(H,7,8)/t4-/m0/s1
IUPAC Name
(2R)-2-acetamido-3-sulfanylpropanamide
SMILES
[H]N([H])C(=O)[C@H](CS)N([H])C(C)=O

References

General References
Not Available
ChemSpider
8351770
ZINC
ZINC000034380691
Wikipedia
Acetylcysteinamide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2RecruitingTreatmentCystinosis1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet, chewableOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility5.27 mg/mLALOGPS
logP-0.44ALOGPS
logP-1.5Chemaxon
logS-1.5ALOGPS
pKa (Strongest Acidic)9.96Chemaxon
pKa (Strongest Basic)-2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area72.19 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity39.49 m3·mol-1Chemaxon
Polarizability15.87 Å3Chemaxon
Number of Rings0Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00xr-3900000000-f9fdf20eea3a5998169e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-002r-6900000000-a41dfb4658dc963b6c14
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fl0-9300000000-ace3f38c0b61cce39bda
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-9000000000-1c71285e2d0535a6bbdc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05dv-9000000000-0536861a9c4792488efa
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-f72dcf27af1af858c47c
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]-132.0276262
predicted
DarkChem Lite v0.1.0
[M-H]-136.63567
predicted
DeepCCS 1.0 (2019)
[M+H]+133.3742262
predicted
DarkChem Lite v0.1.0
[M+H]+139.07317
predicted
DeepCCS 1.0 (2019)
[M+Na]+132.6870262
predicted
DarkChem Lite v0.1.0
[M+Na]+147.41266
predicted
DeepCCS 1.0 (2019)

Drug created at July 06, 2018 21:33 / Updated at June 12, 2020 16:53