Lycoramine hydrobromide , CAS No.89505-76-0

CAS: 89505-76-0 Cat. No.: L1000462 Summenformel: C₁₇H₂₄BrNO₃ Molekulargewicht: 370.29 PubChem CID: 24721122

Storage

Room temperature

Spezifikationen

Storage

Room temperature

Aktionsart

INHIBITOR

Namen und Kennungen

Kanonisches Lächeln

CN1CCC23CCC(CC2OC4=C(C=CC(=C34)C1)OC)O.Br

IUPAC Name

(1R,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol;hydrobromide

InChIKey

ICGKMCUNORDOLD-XPSHAMGMSA-N

INCHI

1S/C17H23NO3.BrH/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17;/h3-4,12,14,19H,5-10H2,1-2H3;1H/t12-,14-,17-;/m0./s1

Isomere SMILES

CN1CC[C@@]23CC[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O.Br

PubChem CID

24721122

Molekulargewicht

370.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Klasse Amaryllidaceae alkaloids
      • Subclass Galanthamine-type amaryllidaceae alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Klasse: Amaryllidaceae alkaloids
• Subclass: Galanthamine-type amaryllidaceae alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Galanthamine-type amaryllidaceae alkaloids
• Alternative Parents: Benzazepines Coumarans Anisoles Azepines Aralkylamines Alkyl aryl ethers Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Galanthamine-type amaryllidaceae alkaloid - Benzazepine - Coumaran - Anisole - Alkyl aryl ether - Azepine - Aralkylamine - Benzenoid - Cyclic alcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Hydrobromide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as galanthamine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids with a structure characterized a tetracyclic skeleton with two ortho aromatic protons in ring A.
• 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

• Molekulargewicht: 370.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 369.094 Da
• Monoisotopic Mass: 369.094 Da
• Topological Polar Surface Area: 41.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 403.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 2

XLogP3

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

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

The CAS Number is 89505-76-0, the molecular formula is C17H24BrNO3, and the molecular weight is 370.29 g/mol. InChIKey ICGKMCUNORDOLD-XPSHAMGMSA-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.