NAV

Acetylglycinamide chloral hydrate

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

Identification

Generic Name
Acetylglycinamide chloral hydrate
DrugBank Accession Number
DB13402
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 282.5
Monoisotopic: 280.9624555
Chemical Formula
C6H10Cl3NO5
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.
DrugInteraction
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interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Acetylglycinamide chloral hydrate.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Acetylglycinamide chloral hydrate.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Acetylglycinamide chloral hydrate.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Acetylglycinamide chloral hydrate.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Acetylglycinamide chloral hydrate.
Food Interactions
Not Available

Categories

ATC Codes
N05CC03 — Acetylglycinamide chloral hydrate
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid 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
Alternative Parents
Acetamides / Secondary carboxylic acid amides / Chlorohydrins / Monocarboxylic acids and derivatives / Carboxylic acids / Carbonyl hydrates / Organonitrogen compounds / Organochlorides / Organic oxides / Hydrocarbon derivatives
show 2 more
Substituents
Acetamide / Aliphatic acyclic compound / Alkyl chloride / Alkyl halide / Carbonyl group / Carbonyl hydrate / Carboxamide group / Carboxylic acid / Chlorohydrin / Halohydrin
show 11 more
Molecular Framework
Not Available
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
6WZ3595RLZ
CAS number
17427-14-4
InChI Key
SULCNWZLMZPENK-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO3.C2H3Cl3O2/c1-3(6)5-2-4(7)8;3-2(4,5)1(6)7/h2H2,1H3,(H,5,6)(H,7,8);1,6-7H
IUPAC Name
2,2,2-trichloroethane-1,1-diol; 2-acetamidoacetic acid
SMILES
OC(O)C(Cl)(Cl)Cl.CC(=O)NCC(O)=O

References

General References
Not Available
ChemSpider
32698138
Wikipedia
Acetylglycinamide_chloral_hydrate

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 Solubility43.4 mg/mLALOGPS
logP0.88ALOGPS
logP-1.3Chemaxon
logS-0.58ALOGPS
pKa (Strongest Acidic)3.77Chemaxon
pKa (Strongest Basic)-2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area66.4 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity25.45 m3·mol-1Chemaxon
Polarizability10.69 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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-120.1952969
predicted
DarkChem Lite v0.1.0
[M-H]-141.36702
predicted
DeepCCS 1.0 (2019)
[M+H]+120.6360969
predicted
DarkChem Lite v0.1.0
[M+H]+144.20998
predicted
DeepCCS 1.0 (2019)
[M+Na]+120.2021969
predicted
DarkChem Lite v0.1.0
[M+Na]+152.86084
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:41 / Updated at June 12, 2020 16:53