4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide
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4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide
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CAS No:
131119-04-5
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Formula:
C16H23N3O8
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Chemical Name:
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide
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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
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CAS No:
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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