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Pelrinone

Pelrinone structure

CAS No:
94386-65-9
Formula:
C12H11N5O
Chemical Name:
Pelrinone
Synonyms:
Pelrinone;1,4-Dihydro-2-methyl-4-oxo-6-[(3-pyridylmethyl)amino]-5-pyrimidinecarbonitrile;5-Pyrimidinecarbonitrile, 1,4-dihydro-2-methyl-4-oxo-6-((3-pyridinylmethyl)amino)-;Pelrinona;Pelrinona [spanish];Pelrinone [inn];Pelrinonum;Pelrinonum [latin]

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Pelrinone Basic Attributes

Molecular Weight：

241.25

Exact Mass：

241.09635999

UNII：

9XK91ZI6I5

DSSTox ID：

DTXSID20241458

Characteristics

PSA：

94.46000

XLogP3：

1.03008

Density：

1.33±0.1 g/cm3

Melting Point：

>260 °C(Solv: N,N-dimethylformamide (68-12-2))

Boiling Point：

489.3±55.0 °C(Predicted)

Flash Point：

249.7ºC

Refractive Index：

1.669

PKA：

7.56±0.50

Drug Information

MeSH Entry Terms：

AY 26768

Pelrinone Use and Manufacturing

Cardiotonic.

Computed Properties

Molecular Weight:241.25
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:241.09635999
Monoisotopic Mass:241.09635999
Topological Polar Surface Area:90.2
Heavy Atom Count:18
Complexity:456
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Pelrinone

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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