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Home > Encyclopedia > 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide structure

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide 

structure
  • CAS No:

    131119-04-5

  • Formula:

    C16H23N3O8

  • Chemical Name:

    4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide

  • Synonyms:

    β-D-Glucopyranosiduronic acid,4-(methylnitrosoamino)-1-(3-pyridinyl)butyl;4-(Methylnitrosoamino)-1-(3-pyridinyl)butyl β-D-glucopyranosiduronic acid;4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide;[4-(Methylnitrosamino)-1-(3-pyridyl)but-1-yl] β-O-D-glucosiduronic acid;NNAL-glucuronide;151028-52-3;152219-22-2;187537-82-2;188295-01-4;194810-34-9;1005334-77-9

Description

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide is a glucosiduronic acid.

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide Basic Attributes

385.36900

385.37

Characteristics

162.01000

-0.57510

1.54g/cm3

724.2ºC

391.8ºC

1.632

5.16E-22mmHg at 25°C

Drug Information

4-((methylnitrosoamino)-1-(3-pyridyl)but-1-yl)beta-omega-glucosiduronic acid

Computed Properties

Molecular Weight:385.37
XLogP3:-0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:385.14851470
Monoisotopic Mass:385.14851470
Topological Polar Surface Area:162
Heavy Atom Count:27
Complexity:496
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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