Mebhydrolin - ≥98% , CAS No.524-81-2

CAS: 524-81-2 Cat. No.: B347740 Summenformel: C₁₉H₂₀N₂ Molekulargewicht: 276.37 EG-Nummer: 208-364-4

GRADE & PURITY ≥98%

Synonyms

SBI-0051644.P002 | BRD-K29713308-077-04-1 | SMR000097302 | MS-23933 | SCHEMBL29802 | Mebhydroline | MEBHYDROLINE [MI] | MEBHYDROLIN [WHO-DD] | Mebhydrolin [INN:BAN] | AKOS000115947 | EINECS 208-364-4 | Q1994982 | 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Mebhydrolin is a specific histamine H1 receptor antagonist.

Specifications

Synonyme

SBI-0051644.P002 | BRD-K29713308-077-04-1 | SMR000097302 | MS-23933 | SCHEMBL29802 | Mebhydroline | MEBHYDROLINE [MI] | MEBHYDROLIN [WHO-DD] | Mebhydrolin [INN:BAN] | AKOS000115947 | EINECS 208-364-4 | Q1994982 | 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Produkteigenschaften

• pKa: pKa: 9.12 (Predicted)

Namen und Kennungen

• Pubchem Sid: 528774689
• Kanonisches Lächeln: CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4
• IUPAC Name: 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• InChIKey: FQQIIPAOSKSOJM-UHFFFAOYSA-N
• INCHI: 1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
• Isomere SMILES: CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4
• Molekulargewicht: 276.37
• Reaxy-Rn: 277103
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=277103&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: 3-alkylindoles Aralkylamines Substituted pyrroles Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - 3-alkylindole - Indole - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Amine - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• 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

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: n20D1.63 (Predicted)
• Siedepunkt (°C): 457.30° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 95° C (lit.)
• Molekulargewicht: 276.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 276.163 Da
• Monoisotopic Mass: 276.163 Da
• Topological Polar Surface Area: 8.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 349.000
• 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