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8-(benzylamino)-7-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propyl]-1,3-di methyl-purine-2,6-dione dihydrochloride

8-(benzylamino)-7-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propyl]-1,3-di methyl-purine-2,6-dione dihydrochloride structure

CAS No:
105319-52-6
Formula:
C28H37Cl2N7O3
Chemical Name:
8-(benzylamino)-7-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propyl]-1,3-di methyl-purine-2,6-dione dihydrochloride
Synonyms:
8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride;Theophylline, 8-(benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)-, dihydrochloride;CTK8G5028;DTXSID80909441;LS-149423;8-(Benzylimino)-7-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione--hydrogen chloride (1/2)

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8-(benzylamino)-7-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propyl]-1,3-di methyl-purine-2,6-dione dihydrochloride Basic Attributes

Molecular Weight：

590.55

Exact Mass：

589.233

Characteristics

PSA：

97.2

XLogP3：

2.12620

Boiling Point：

732.7ºC at 760mmHg

Flash Point：

396.9ºC

Vapor Pressure：

1.56E-22mmHg at 25°C

Computed Properties

Molecular Weight:590.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:589.2334935
Monoisotopic Mass:589.2334935
Topological Polar Surface Area:97.2
Heavy Atom Count:40
Complexity:795
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 8-(benzylamino)-7-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propyl]-1,3-di methyl-purine-2,6-dione dihydrochloride

Basic Attributes
Characteristics
Computed Properties
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8-(benzylamino)-7-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propyl]-1,3-di methyl-purine-2,6-dione dihydrochloride

SDS

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