NAV

Riboprine

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

Identification

Generic Name
Riboprine
DrugBank Accession Number
DB11933
Background

Ipa has been used in trials studying the treatment of Nausea and Surgical Site Infection.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 335.3583
Monoisotopic: 335.159354185
Chemical Formula
C15H21N5O4
Synonyms
  • IPA
  • riboprina
  • Riboprine
External IDs
  • NSC-105546
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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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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
CitraNatal 90 DHARiboprine (3.4 mg/1) + Ascorbic acid (120 mg/1) + Calcium citrate tetrahydrate (160 mg/1) + Cupric oxide (2 mg/1) + Docusate sodium (50 mg/1) + Folic acid (1 mg/1) + Iron (90 mg/1) + Nicotinamide (20 mg/1) + Potassium triiodide (150 ug/1) + Pyridoxine hydrochloride (20 mg/1) + Thiamine chloride (3 mg/1) + Vitamin D (400 [iU]/1) + Zinc oxide (25 mg/1) + alpha-Tocopherol acetate (30 [iU]/1)TabletOralMission Pharmacal2010-02-01Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
CitraNatal 90 DHARiboprine (3.4 mg/1) + Ascorbic acid (120 mg/1) + Calcium citrate tetrahydrate (160 mg/1) + Cupric oxide (2 mg/1) + Docusate sodium (50 mg/1) + Folic acid (1 mg/1) + Iron (90 mg/1) + Nicotinamide (20 mg/1) + Potassium triiodide (150 ug/1) + Pyridoxine hydrochloride (20 mg/1) + Thiamine chloride (3 mg/1) + Vitamin D (400 [iU]/1) + Zinc oxide (25 mg/1) + alpha-Tocopherol acetate (30 [iU]/1)TabletOralMission Pharmacal2010-02-01Not applicableUS flag

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
Purine nucleosides
Sub Class
Not Available
Direct Parent
Purine nucleosides
Alternative Parents
Glycosylamines / 6-alkylaminopurines / Pentoses / Secondary alkylarylamines / Aminopyrimidines and derivatives / N-substituted imidazoles / Imidolactams / Tetrahydrofurans / Heteroaromatic compounds / Secondary alcohols
show 5 more
Substituents
6-alkylaminopurine / 6-aminopurine / Alcohol / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Glycosyl compound / Heteroaromatic compound
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
nucleoside analogue, N-ribosyl-N(6)-isopentenyladenine (CHEBI:62881)
Affected organisms
Not Available

Chemical Identifiers

UNII
8EU82FAZ5J
CAS number
7724-76-7
InChI Key
USVMJSALORZVDV-SDBHATRESA-N
InChI
InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
IUPAC Name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-{6-[(3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol
SMILES
[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(NCC=C(C)C)N=CN=C23)[C@]([H])(O)[C@]1([H])O

References

General References
Not Available
KEGG Compound
C16427
PubChem Compound
24405
PubChem Substance
347828260
ChemSpider
22815
RxNav
1376156
ChEBI
62881
ChEMBL
CHEMBL452867
ZINC
ZINC000000057125
PDBe Ligand
ZIR
PDB Entries
3s1c / 3s1d

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
TabletOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility4.23 mg/mLALOGPS
logP0.25ALOGPS
logP-0.43Chemaxon
logS-1.9ALOGPS
pKa (Strongest Acidic)12.45Chemaxon
pKa (Strongest Basic)3.72Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area125.55 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity87.81 m3·mol-1Chemaxon
Polarizability35.14 Å3Chemaxon
Number of Rings3Chemaxon
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
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0w30-0960000000-0035fb65e8672a86a8e4
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-001i-3980000000-8a77d79fb39101eb35b1
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00di-9740000000-fef11b9cca0d66b260ec
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-0f89-0971000000-8df58b6063424f35a1af
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-0f89-0961000000-e57cf833c2dc4f96fcc4
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-03dl-0195000000-bb1c98cdfb4dd8bcbcf6
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0udi-0291000000-5d247df3981e5a6e1e3b
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-000i-0039000000-4b317606d25e8dde70f7
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0udr-0890000000-592e5a2a1e483e6e96c6
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-000i-0900000000-ea249daf88f035efbbc9
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000j-0921000000-aa0e302b67b3d15cc148
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udr-0097000000-fe353249d6cbe45d3b6f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0190000000-d6fadfaa6a83acf85adc
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0493000000-d101851ccec468296846
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000j-2910000000-4dd71fe2a2e6138d7b04
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pc9-5690000000-2b287c9487776dc61d77
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0900000000-27c1f725c2a6b7d6ae72
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]-203.2008262
predicted
DarkChem Lite v0.1.0
[M-H]-202.2723262
predicted
DarkChem Lite v0.1.0
[M-H]-176.96867
predicted
DeepCCS 1.0 (2019)
[M+H]+203.1518262
predicted
DarkChem Lite v0.1.0
[M+H]+202.9867262
predicted
DarkChem Lite v0.1.0
[M+H]+179.32668
predicted
DeepCCS 1.0 (2019)
[M+Na]+202.4008262
predicted
DarkChem Lite v0.1.0
[M+Na]+202.3921262
predicted
DarkChem Lite v0.1.0
[M+Na]+186.65132
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:02 / Updated at September 28, 2021 21:54