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Donitriptan

Donitriptan structure

CAS No:
170912-52-4
Formula:
C23H25N5O2
Chemical Name:
Donitriptan
Synonyms:
Benzonitrile,4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]-1-piperazinyl]-;Piperazine,1-[[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]-4-(4-cyanophenyl)-;4-[4-[2-[[3-(2-Aminoethyl)-1H-indol-5-yl]oxy]acetyl]-1-piperazinyl]benzonitrile;Donitriptan
Categories:
Organic Chemistry > Amides

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Donitriptan Basic Attributes

Molecular Weight：

403.47700

Exact Mass：

403.48

UNII：

70968BVH2J

DSSTox ID：

DTXSID20168974

Characteristics

PSA：

98.38000

XLogP3：

2.97158

Density：

1.32g/cm3

Boiling Point：

727.1ºC

Flash Point：

393.6ºC

Refractive Index：

1.688

Vapor Pressure：

5.34E-21mmHg at 25°C

Drug Information

MeSH Entry Terms：

4-(4-(2-(2-aminoethyl-1H-indol-5-yloxyl)acetyl)piperazinyl-1-yl)benzonitrile

Computed Properties

Molecular Weight:403.5
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:403.20082506
Monoisotopic Mass:403.20082506
Topological Polar Surface Area:98.4
Heavy Atom Count:30
Complexity:618
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes