NAV

Oxaceprol

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

Identification

Generic Name
Oxaceprol
DrugBank Accession Number
DB13363
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 173.168
Monoisotopic: 173.068807838
Chemical Formula
C7H11NO4
Synonyms
  • Oxaceprol
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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
M01AX24 — OxaceprolD11AX09 — Oxaceprol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline 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
Proline and derivatives
Alternative Parents
N-acyl-L-alpha-amino acids / Pyrrolidine carboxylic acids / N-acylpyrrolidines / Tertiary carboxylic acid amides / Acetamides / Secondary alcohols / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organopnictogen compounds
show 4 more
Substituents
Acetamide / Alcohol / Aliphatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxamide group / Carboxylic acid / Hydrocarbon derivative / Monocarboxylic acid or derivatives / N-acyl-alpha amino acid or derivatives
show 16 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Q0XV76B96L
CAS number
33996-33-7
InChI Key
BAPRUDZDYCKSOQ-RITPCOANSA-N
InChI
InChI=1S/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s1
IUPAC Name
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILES
[H][C@]1(O)CN(C(C)=O)[C@@]([H])(C1)C(O)=O

References

General References
Not Available
ChemSpider
59203
RxNav
28068
ChEMBL
CHEMBL1407356
ZINC
ZINC000000154540
Wikipedia
Oxaceprol

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 Solubility640.0 mg/mLALOGPS
logP-1.4ALOGPS
logP-1.6Chemaxon
logS0.57ALOGPS
pKa (Strongest Acidic)3.69Chemaxon
pKa (Strongest Basic)-1.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area77.84 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity38.95 m3·mol-1Chemaxon
Polarizability16.35 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03fr-1900000000-ae53f0ca9ec4af1b0fdf
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0900000000-5c0c9f35d471a390cbd7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dr-7900000000-5de83ce658dd055d61cd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0900000000-0de17be38ec15d00a687
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-028a703f3c6966a6c86f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01p9-9500000000-8bb1c9b7a8fe07ab2f38
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]-139.200276
predicted
DarkChem Lite v0.1.0
[M-H]-139.109376
predicted
DarkChem Lite v0.1.0
[M-H]-140.38724
predicted
DeepCCS 1.0 (2019)
[M+H]+139.728676
predicted
DarkChem Lite v0.1.0
[M+H]+138.119476
predicted
DarkChem Lite v0.1.0
[M+H]+142.39821
predicted
DeepCCS 1.0 (2019)
[M+Na]+139.349476
predicted
DarkChem Lite v0.1.0
[M+Na]+139.045976
predicted
DarkChem Lite v0.1.0
[M+Na]+148.31073
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54