Desmethylranitidine
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Desmethylranitidine
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CAS No:
66357-25-3
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Formula:
C12H20N4O3S
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Chemical Name:
Desmethylranitidine
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Synonyms:
1,1-Ethenediamine,N-methyl-N′-[2-[[[5-[(methylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro-;N-Methyl-N′-[2-[[[5-[(methylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro-1,1-ethenediamine;Desmethylranitidine
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CAS No:
Description
Yellow Solid
Desmethylranitidine is a member of the class of furans that is a metabolite of ranitidine in rats and humans. It has a role as a drug metabolite, a rat metabolite and a human urinary metabolite. It is a C-nitro compound, a secondary amino compound, a member of furans and an organic sulfide.
Characteristics
120.35000
2.81270
1.199±0.06 g/cm3(Predicted)
88-94°C
449ºC at 760 mmHg
225.4ºC
1.559
-20°C Freezer
Computed Properties
Molecular Weight:300.38
XLogP3:-0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:300.12561169
Monoisotopic Mass:300.12561169
Topological Polar Surface Area:120
Heavy Atom Count:20
Complexity:322
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes