NAV

Sulfabromomethazine

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

Identification

Generic Name
Sulfabromomethazine
DrugBank Accession Number
DB11547
Background

Not Available

Type
Small Molecule
Groups
Vet approved
Structure
3D
Similar Structures
Weight
Average: 357.23
Monoisotopic: 355.99426
Chemical Formula
C12H13BrN4O2S
Synonyms
  • 5-bromosulfamethazine
  • Bromosulfamethazine
External IDs
  • S. N. 3517
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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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Product Ingredients
IngredientUNIICASInChI Key
Sulfabromomethazine sodiumY200FZX73L6101-20-8RFIVRKPJMTYCIP-UHFFFAOYSA-N

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzenesulfonamides
Direct Parent
Aminobenzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds / Aniline and substituted anilines / Halopyrimidines / Organosulfonamides / Aryl bromides / Heteroaromatic compounds / Aminosulfonyl compounds / Azacyclic compounds / Primary amines / Organopnictogen compounds
show 3 more
Substituents
Amine / Aminobenzenesulfonamide / Aminosulfonyl compound / Aniline or substituted anilines / Aromatic heteromonocyclic compound / Aryl bromide / Aryl halide / Azacycle / Benzenesulfonyl group / Halopyrimidine
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
PQK2N461KJ
CAS number
116-45-0
InChI Key
KWXCNODTHBHSIQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H13BrN4O2S/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3,(H,15,16,17)
IUPAC Name
4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzene-1-sulfonamide
SMILES
CC1=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC(C)=C1Br

References

General References
  1. STOWE CM, ARONSON AL, JOHNSON K: The pharmacology of sulfabromomethazine, a new long-acting sulfonamide, in cattle. Am J Vet Res. 1958 Apr;19(71):345-53. [Article]
  2. Unruh J, Schwartz DP, Barford RA: Quantitation of sulfamethazine in pork tissue by thin-layer chromatography. J AOAC Int. 1993 Mar-Apr;76(2):335-41. [Article]
  3. Fink DW, Martin RP, Blodinger J: Facile separation of sulfonamides from their degradates by liquid--liquid extraction. J Pharm Sci. 1978 Oct;67(10):1415-9. [Article]
  4. Thomas MH, Soroka KE, Thomas SH: Quantitative thin layer chromatographic multi-sulfonamide screening procedure. J Assoc Off Anal Chem. 1983 Jul;66(4):881-3. [Article]
  5. Manuel AJ, Steller WA: Gas-liquid chromatographic determination of sulfamethazine in swine and cattle tissues. J Assoc Off Anal Chem. 1981 Jul;64(4):794-9. [Article]
  6. Goodspeed DP, Simpson RM, Ashworth RB, Shafer JW, Cook HR: Sensitive and specific gas-liquid chromatographic-spectrophotometric screening procedure for trace levels of five sulfonamides in liver, kidney, and muscle tissue. J Assoc Off Anal Chem. 1978 Sep;61(5):1050-3. [Article]
ChemSpider
8009
ChEBI
145405
ChEMBL
CHEMBL2111078
ZINC
ZINC000001687255

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 Solubility0.106 mg/mLALOGPS
logP1.71ALOGPS
logP1.42Chemaxon
logS-3.5ALOGPS
pKa (Strongest Acidic)6.99Chemaxon
pKa (Strongest Basic)1.97Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area97.97 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity81.01 m3·mol-1Chemaxon
Polarizability31.26 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0309000000-f42dba4211968712b78d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0009000000-f7721a634dedf9f9c4ea
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0908000000-0b9f528d0b9d489fab7a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f92-5907000000-0d2ca5eaccbc1974e960
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gbc-9443000000-20ad137b0a8aba3a6010
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-4900000000-e9ff1c295837703fe052
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]-163.85493
predicted
DeepCCS 1.0 (2019)
[M+H]+166.21294
predicted
DeepCCS 1.0 (2019)
[M+Na]+172.30608
predicted
DeepCCS 1.0 (2019)

Drug created at February 26, 2016 17:43 / Updated at June 12, 2020 16:53