(-)-Lupinine - ≥95% , CAS No.486-70-4

CAS: 486-70-4 Cat. No.: L335482 Summenformel: C₁₀H₁₉NO Molekulargewicht: 169.26 Beilstein Registry Number: 80447 EG-Nummer: 207-638-0

GRADE & PURITY ≥95%

Synonyms

(1R-trans)-Octahydro-2H-quinolizine-1-methanol | 2-(1-Piperazino)pyridine-5-carbonitrile | Maybridge1_003698 | BRD-K45978015-001-03-6 | BRN 0080447 | F77309 | Maybridge1_003297 | (trans-Octahydro-1H-quinolizin-1-yl)methanol | DivK1c_006702 | HMS1922N13 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Lupinine is an alkaloid isolate from|Anabisis aphylla|capable of counteracting the effects of ethanol anesthesia.

Specifications

Synonyme

(1R-trans)-Octahydro-2H-quinolizine-1-methanol | 2-(1-Piperazino)pyridine-5-carbonitrile | Maybridge1_003698 | BRD-K45978015-001-03-6 | BRN 0080447 | F77309 | Maybridge1_003297 | (trans-Octahydro-1H-quinolizin-1-yl)methanol | DivK1c_006702 | HMS1922N13 |

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥95%

Produkteigenschaften

• pKa: pKa: 10.12 (Predicted)

Namen und Kennungen

• Kanonisches Lächeln: C1CCN2CCCC(C2C1)CO
• IUPAC Name: [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol
• InChIKey: HDVAWXXJVMJBAR-VHSXEESVSA-N
• INCHI: 1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1
• Isomere SMILES: C1CCN2CCC[C@H]([C@H]2C1)CO
• WGK Deutschland: 3
• RTECS: OK5802000
• Molekulargewicht: 169.26
• Beilstein: 80447
• Reaxy-Rn: 106825
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106825&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Klasse Lupin alkaloids
      • Subclass Lupinine-type alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Klasse: Lupin alkaloids
• Subclass: Lupinine-type alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Lupinine-type alkaloids
• Alternative Parents: Quinolizines Quinolizidines Piperidines 1,3-aminoalcohols Trialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Lupinine - Quinolizidine - Quinolizine - Piperidine - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as lupinine-type alkaloids. These are lupin alkaloids with a structure based on the lupinine skeleton, which is a bicyclic compound consisting of a quinolizidine.
• External Descriptors: Quinolizidine alkaloids

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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ACHE Tclin Acetylcholinesterase (18204 Activities)

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HL (112 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Chlamydia pneumoniae (241 Activities)

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BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water, alcohol, chloroform, and ether.
• Brechungsindex: n20D1.53 (Predicted)
• Spezifische Drehung [α]: α20/D -26°, c = 3 in water
• Siedepunkt (°C): 160-164° C at 4 mmHg
• Schmelzpunkt (°C): 62-66° C
• Molekulargewicht: 169.260 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 169.147 Da
• Monoisotopic Mass: 169.147 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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