3-Hydroxy Carbofuran - Analytical standard, Moligand™, ≥98% , CAS No.16655-82-6

CAS: 16655-82-6 Cat. No.: H132504 Summenformel: C₁₂H₁₅NO₄ Molekulargewicht: 237.25 Beilstein Registry Number: 1383873 EG-Nummer: 625-078-9

GRADE & PURITY Analytical standard, Moligand™, ≥98%

Synonyms

UNII-7J7N7A61BJ | 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate | CHEBI:174216 | 2,3-Dihydro-2,2-dimethyl-3,7-benzofurandiol 7-(methylcarbamate) | DTXSID2037506 | SCHEMBL3400466 | 3-(2-OXO-PROPYL)-BENZOICACIDETHYLESTER | CCRIS 9207

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

3-Hydroxycarbofuran, a major metabolite of Carbofuran, is a reversible acetylcholinesterase (AChE) inhibitor.

Specifications

Synonyme

UNII-7J7N7A61BJ | 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate | CHEBI:174216 | 2,3-Dihydro-2,2-dimethyl-3,7-benzofurandiol 7-(methylcarbamate) | DTXSID2037506 | SCHEMBL3400466 | 3-(2-OXO-PROPYL)-BENZOICACIDETHYLESTER | CCRIS 9207

Spezifikationen & Reinheit

Analytical standard, Moligand™, ≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Analytischer Standard, Moligand™

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C
• IUPAC Name: (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
• InChIKey: RHSUJRQZTQNSLL-UHFFFAOYSA-N
• INCHI: 1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)
• Isomere SMILES: CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C
• WGK Deutschland: 3
• RTECS: FB9500000
• Molekulargewicht: 237.25
• Beilstein: 1383873
• Reaxy-Rn: 1383873
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1383873&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Coumarans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Coumarans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarans
• Alternative Parents: Alkyl aryl ethers Benzenoids Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaran - Alkyl aryl ether - Benzenoid - Carbamic acid ester - Secondary alcohol - Carbonic acid derivative - Oxacycle - Ether - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran 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

Zugehörige Ziele (menschlich)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 237.250 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 237.1 Da
• Monoisotopic Mass: 237.1 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 305.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Lin-Lin Zhang, Zeng Chen, Li Li, Wuying Yang, Dan Wang, Yanping Hong, Kaijie Tang, Jiaxin Hong, Lu-Ying Duan, Limin Lu.  (2025)  A bifunctional miniaturized sensor based on dual-luminescent europium metal-organic framework for sensitive ratiometric and visual detection of Sn4+ and amitraz.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:41401489] [10.1016/j.saa.2025.127339]