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HydroxyDehydroNifedipineLactone

HydroxyDehydroNifedipineLactone structure

CAS No:
34785-00-7
Formula:
C16H12N2O6
Chemical Name:
HydroxyDehydroNifedipineLactone
Synonyms:
Hydroxy Dehydro Nifedipine Lactone;Nifedipine impurity 12;4-(2-Nitrophenyl)-2-(hydroxyMethyl)-5-(Methoxycarbonyl)-6- Methylpyridine-3-carboxylic Acid-γ-lactone;5,7-Dihydro-2-Methyl-4-(2-nitrophenyl)-5-oxo-furo[3,4-b]pyridine-3-carboxylic acid Methyl Ester;Nifedipine Dehydro Hydroxy Lactone;Furo[3,4-b]pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(2-nitrophenyl)-5-oxo-, methyl ester

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HydroxyDehydroNifedipineLactone Basic Attributes

Molecular Weight：

328.28

Exact Mass：

328.06953611

DSSTox ID：

DTXSID10544728

Characteristics

PSA：

111.31000

XLogP3：

2.94540

Density：

1.423±0.06 g/cm3

Melting Point：

174-175 °C(Solv: ethyl ether (60-29-7))

Boiling Point：

569.0±50.0 °C(Predicted)

PKA：

-0.56±0.20

HydroxyDehydroNifedipineLactone Use and Manufacturing

Nifedipine (N457000) metabolite.

Computed Properties

Molecular Weight:328.28
XLogP3:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:328.06953611
Monoisotopic Mass:328.06953611
Topological Polar Surface Area:111
Heavy Atom Count:24
Complexity:533
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of HydroxyDehydroNifedipineLactone

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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