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Avitriptan

Avitriptan structure

CAS No:
151140-96-4
Formula:
C22H30N6O3S
Chemical Name:
Avitriptan
Synonyms:
1H-Indole-5-methanesulfonamide,3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-N-methyl-;3-[3-[4-(5-Methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-N-methyl-1H-indole-5-methanesulfonamide;Avitriptan

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Description

Avitriptan is a member of tryptamines.

Avitriptan Basic Attributes

Molecular Weight：

458.57700

Exact Mass：

458.58

UNII：

6RS056L04P

DSSTox ID：

DTXSID60164718

Characteristics

PSA：

111.83000

XLogP3：

3.24510

Density：

1.298g/cm3

Melting Point：

173-174 °C

Boiling Point：

708ºC

Flash Point：

382ºC

Refractive Index：

1.624

Vapor Pressure：

6.79E-20mmHg at 25°C

Drug Information

MeSH Entry Terms：

3-(3-(4--(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-N-methyl-1H-indole-5-methanesulfonamide fumarate

Computed Properties

Molecular Weight:458.6
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:458.21001001
Monoisotopic Mass:458.21001001
Topological Polar Surface Area:112
Heavy Atom Count:32
Complexity:682
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Avitriptan

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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