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Trigonelline hydrochloride

Trigonelline hydrochloride structure

Trigonelline hydrochloride 

structure
  • CAS No:

    6138-41-6

  • Formula:

    C7H8NO2.Cl

  • Chemical Name:

    Trigonelline hydrochloride

  • Synonyms:

    Pyridinium,3-carboxy-1-methyl-,chloride (1:1);Pyridinium,3-carboxy-1-methyl-,chloride;3-Carboxy-1-methylpyridinium chloride;Trigonelline,chloride;Trigonelline hydrochloride;N-Methyl-3-carboxypyridinium chloride;209064-35-7

  • Categories:

    Natural Products  >  Alkaloids

Description

Trigonelline chloride, an alkaloid with potential antidiabetic activity, is present in considerable amounts in coffee.

Trigonelline hydrochloride Basic Attributes

173.6

173.024353

228-119-5

89A86B74I9

66510

2933399090

Characteristics

41.2

-0.32340

243-244.5 °C (decomp)

124.1 Ų [M+H]+

Safety Information

NONH for all modes of transport

3

36/37/38

22-24/25-36-26

Xi

Drug Information

trigonelline

Computed Properties

Molecular Weight:173.60
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:173.0243562
Monoisotopic Mass:173.0243562
Topological Polar Surface Area:41.2
Heavy Atom Count:11
Complexity:136
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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