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Iprotiazem

Iprotiazem structure

CAS No:
105118-13-6
Formula:
C37H49N3O5S
Chemical Name:
Iprotiazem
Synonyms:
Hoechst-166; (2R)-2-[2-[[4-[4-[2-(3,4,5-Trimethoxyphenyl)ethyl]piperazin-1-yl]butyl]oxy]phenyl]-4-methyl-2-(1-methylethyl)-2H-1,4-benzothiazin-3(4H)-one;

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Iprotiazem Basic Attributes

Molecular Weight：

647.86700

Exact Mass：

647.33929285 g/mol

UNII：

3VPX99Q2D7

Characteristics

PSA：

89.01000

XLogP3：

6.29250

Density：

1.143g/cm3

Boiling Point：

784.5ºC

Flash Point：

428.3ºC

Refractive Index：

1.572

Vapor Pressure：

1.43E-24mmHg at 25°C

Computed Properties

Molecular Weight:647.9
XLogP3:6.9
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:14
Exact Mass:647.33929285
Monoisotopic Mass:647.33929285
Topological Polar Surface Area:89
Heavy Atom Count:46
Complexity:921
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Iprotiazem

Basic Attributes
Characteristics
Computed Properties

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