Riboflavin tetrabutyrate

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

Identification

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Name
Riboflavin tetrabutyrate
Accession Number
DB14727
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Riboflavin 2',3',4',5'-tetrabutyrate
  • Riboflavin tetrabutyrate
  • Riboflavin, 2',3',4',5'-tetrabutanoate
  • Vitamin B2 tetrabutyrate
External IDs
SDBS-7805
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
Aronamin GoldRiboflavin tetrabutyrate (2.5 mg/1) + Ascorbic acid (70 mg/1) + Fursultiamine (50 mg/1) + Hydroxocobalamin acetate (5.22 ug/1) + alpha-Tocopherol acetate (20 mg/1)Tablet, film coatedOralOASIS TRADING2018-11-20Not applicableUs
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
Aronamin GoldRiboflavin tetrabutyrate (2.5 mg/1) + Ascorbic acid (70 mg/1) + Fursultiamine (50 mg/1) + Hydroxocobalamin acetate (5.22 ug/1) + alpha-Tocopherol acetate (20 mg/1)Tablet, film coatedOralOASIS TRADING2018-11-20Not applicableUs
Categories
UNII
F211C9MSGY
CAS number
752-56-7
Weight
Average: 656.733
Monoisotopic: 656.305743633
Chemical Formula
C33H44N4O10
InChI Key
MJNIWUJSIGSWKK-BBANNHEPSA-N
InChI
InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)/t23-,24+,30-/m0/s1
IUPAC Name
(2R,3S,4S)-1,2,4-tris(butanoyloxy)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}pentan-3-yl butanoate
SMILES
CCCC(=O)OC[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](CN1C2=C(C=C(C)C(C)=C2)N=C2C(=O)NC(=O)N=C12)OC(=O)CCC

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
ChemSpider
83186
ChEBI
32097
ChEMBL
CHEMBL1325863

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
Tablet, film coatedOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0092 mg/mLALOGPS
logP3.72ALOGPS
logP5.43ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)6.04ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area179.33 Å2ChemAxon
Rotatable Bond Count21ChemAxon
Refractivity169.79 m3·mol-1ChemAxon
Polarizability68.42 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Classification
Not classified

Drug created on December 15, 2018 16:00 / Updated on November 02, 2019 03:26