Carbutamide - ≥98% , CAS No.339-43-5

CAS: 339-43-5 Cat. No.: C136249 Molecular Weight: 271.34 EC Number: 206-424-4

GRADE & PURITY ≥98%

Synonyms

Urea, 1-butyl-3-sulfanilyl- | BRN 2218915 | 4-amino-N-(butylcarbamoyl)benzenesulfonamide | Ca 1022 | Diabetoplex | Emedan | Bucarban | Carbutamidum | n(sup 1)-Sulfanilyl-n(sup 2)-butylcarbamide | J-019389 | N-Sulfanilyl N'butyluree | N-Butyl-N'-sulfanilyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Urea, 1-butyl-3-sulfanilyl- | BRN 2218915 | 4-amino-N-(butylcarbamoyl)benzenesulfonamide | Ca 1022 | Diabetoplex | Emedan | Bucarban | Carbutamidum | n(sup 1)-Sulfanilyl-n(sup 2)-butylcarbamide | J-019389 | N-Sulfanilyl N'butyluree | N-Butyl-N'-sulfanilyl

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751844
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751844
• Canonical Smiles: CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
• IUPAC Name: 1-(4-aminophenyl)sulfonyl-3-butylurea
• InChIKey: VDTNNGKXZGSZIP-UHFFFAOYSA-N
• INCHI: 1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)
• Isomeric SMILES: CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
• Molecular Weight: 271.34
• Reaxy-Rn: 2218915
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2218915&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Aniline and substituted anilines Sulfonylureas Organosulfonic acids and derivatives Aminosulfonyl compounds Organic carbonic acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Sulfonylurea - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carbonic acid derivative - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound
• 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.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 271.340 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 271.099 Da
• Monoisotopic Mass: 271.099 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 356.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Zixian He, Zhiwei Liu, Haihuan Xie, Pengjie Luo, Xiangmei Li.  (2023)  An Ultrasensitive Lateral Flow Immunoassay Based on Metal-Organic Framework-Decorated Polydopamine for Multiple Sulfonylureas Adulteration in Functional Foods.  Foods,  12  (3): (539).  [PMID:36766067] [10.3390/foods12030539]

2. Haihuan Xie, Yingying Li, Jin Wang, Yi Lei, Anastasios Koidis, Xiangmei Li, Xing Shen, Zhenlin Xu, Hongtao Lei.  (2021)  Broad-specific immunochromatography for simultaneous detection of various sulfonylureas in adulterated multi-herbal tea.  FOOD CHEMISTRY,      [PMID:34536782] [10.1016/j.foodchem.2021.131055]

3. Xiaoting Yu, Tao Zhou, Kangliang Pan, Michelle Huiying Fan, Xinfu Yan, Xin-An Huang, Huiling Zhang, Xing Shen, Haihuan Xie, Yong-Gui Gao, Hongtao Lei.  (2025)  Structure Profiling of Broad-Specificity Immunoassays: Multitarget Recognition for Sulfonylurea Adulteration in Food.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:40173361] [10.1021/acs.jafc.5c00655]