NAV

Brodimoprim

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

Identification

Generic Name
Brodimoprim
DrugBank Accession Number
DB13795
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 339.193
Monoisotopic: 338.037839
Chemical Formula
C13H15BrN4O2
Synonyms
  • 2,4-diamino-5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine
  • Brodimoprim
  • Brodimoprima
  • Brodimoprime
  • Brodimoprimum
External IDs
  • Ro 10-5970
  • Ro 105970
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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.
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AcetazolamideThe therapeutic efficacy of Brodimoprim can be increased when used in combination with Acetazolamide.
Folic acidThe therapeutic efficacy of Brodimoprim can be decreased when used in combination with Folic acid.
LeucovorinThe therapeutic efficacy of Brodimoprim can be decreased when used in combination with Leucovorin.
LevoleucovorinThe therapeutic efficacy of Brodimoprim can be decreased when used in combination with Levoleucovorin.
Food Interactions
Not Available

Products

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Categories

ATC Codes
J01EA02 — Brodimoprim
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Methoxybenzenes
Direct Parent
Dimethoxybenzenes
Alternative Parents
Phenoxy compounds / Anisoles / Bromobenzenes / Alkyl aryl ethers / Imidolactams / Hydropyrimidines / Aryl bromides / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds
show 3 more
Substituents
Alkyl aryl ether / Anisole / Aromatic heteromonocyclic compound / Aryl bromide / Aryl halide / Azacycle / Bromobenzene / Dimethoxybenzene / Ether / Halobenzene
show 16 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
V1YC7T6LLI
CAS number
56518-41-3
InChI Key
BFCRRLMMHNLSCP-UHFFFAOYSA-N
InChI
InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)
IUPAC Name
5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILES
COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1Br

References

General References
Not Available
KEGG Drug
D07238
ChemSpider
62004
BindingDB
50027970
RxNav
19727
ChEBI
131726
ChEMBL
CHEMBL31891
ZINC
ZINC000000005824
Wikipedia
Brodimoprim

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Suspension
Tablet
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.338 mg/mLALOGPS
logP2.06ALOGPS
logP2.21Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)17.33Chemaxon
pKa (Strongest Basic)7.16Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area96.28 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity82.67 m3·mol-1Chemaxon
Polarizability29.97 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-024i-0569000000-a55b37f235731811426a
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0009000000-d0bf35193ddbfb96bbdb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0019000000-d251afc9ddf4224c4c36
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0079-0409000000-fb0c61493e6675daf483
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004s-2196000000-c9dcd23f0b99150570fe
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fl0-4792000000-bbacfd6afb2c03f9134f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-009g-7920000000-d83ba48d0d253942fd86
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]-162.50206
predicted
DeepCCS 1.0 (2019)
[M+H]+164.86006
predicted
DeepCCS 1.0 (2019)
[M+Na]+170.95322
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:48 / Updated at February 21, 2021 18:54