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5,6-Dehydropregabalin

5,6-Dehydropregabalin structure

CAS No:
1136478-30-2
Formula:
C8H15NO2
Chemical Name:
5,6-Dehydropregabalin
Synonyms:
3-(AMinoMethyl)-5-Methyl-5-hexenoic Acid;5,6-Dehydropregabalin;rac 5,6-Dehydro Pregabalin;3-(aminomethyl)-5-methylhex-5-enoic acid;Pregabalin Impurity N
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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5,6-Dehydropregabalin Basic Attributes

Molecular Weight：

157.2102

Exact Mass：

157.11000

DSSTox ID：

DTXSID60649499

Characteristics

PSA：

63.3

XLogP3：

1.70250

Density：

1.019±0.06 g/cm3(Predicted)

Boiling Point：

287.3±28.0 °C(Predicted)

5,6-Dehydropregabalin Use and Manufacturing

5,6-Dehydropregabalin is an impurity of the anticonvulsant, Pregabalin (P704800).

Computed Properties

Molecular Weight:157.21
XLogP3:-1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:157.110278721
Monoisotopic Mass:157.110278721
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Complexity:154
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes