Carbutamide - ≥98% , CAS No.339-43-5

CAS: 339-43-5 Cat. No.: C136249 Formula: C₁₁H₁₇N₃O₃S 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

Action Type

INHIBITOR

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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 339-43-5, the molecular formula is C11H17N3O3S, and the molecular weight is 271.34 g/mol. InChIKey VDTNNGKXZGSZIP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.