Cicletanin-Hydrochlorid - ≥98% , CAS No.82747-56-6

CAS: 82747-56-6 Cat. No.: C356744 Summenformel: C₁₄H₁₃Cl₂NO₂ Molekulargewicht: 298.16 EG-Nummer: 620-507-6 PubChem CID: 54909

GRADE & PURITY ≥98%

Synonyms

3-(4-Chlorphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol Hydrochlorid | Cicletanin HCl | CICLETANIN HYDROCHLORID [MI] | Justar (TN) | WIN-90000 HCL | 3-(4-Chlorphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol;Hydrochlorid | Furo(3,4-c)pyrid

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Übersicht

Cicletaninhydrochlorid ist ein Furopyridin-Derivat mit blutdrucksenkenden und harntreibenden Eigenschaften.

Specifications

Synonyme

3-(4-Chlorphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol Hydrochlorid | Cicletanin HCl | CICLETANIN HYDROCHLORID [MI] | Justar (TN) | WIN-90000 HCL | 3-(4-Chlorphenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol;Hydrochlorid | Furo(3,4-c)pyrid

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508810392

Kanonisches Lächeln

CC1=NC=C2C(OCC2=C1O)C3=CC=C(C=C3)Cl.Cl

IUPAC Name

3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol;hydrochloride

InChIKey

QLMBAIRFQQLJJX-UHFFFAOYSA-N

INCHI

1S/C14H12ClNO2.ClH/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9;/h2-6,14,17H,7H2,1H3;1H

Isomere SMILES

CC1=NC=C2C(OCC2=C1O)C3=CC=C(C=C3)Cl.Cl

PubChem CID

54909

Molekulargewicht

298.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Methylpyridines Hydroxypyridines Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chlorobenzene - Methylpyridine - Hydroxypyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Dialkyl ether - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Hydrochloride - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 208-219° C
• Molekulargewicht: 298.200 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 297.032 Da
• Monoisotopic Mass: 297.032 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 294.000
• 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: 2

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