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7-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione,dihydrobromide

7-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione,dihydrobromide structure

CAS No:
53499-65-3
Formula:
C15H26Br2N6O3
Chemical Name:
7-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione,dihydrobromide
Synonyms:
N(sup 1)-Theophyllinylethyl-N(sup 4)-(2-hydroxyethyl)piperazine dihydrobromide; 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2-(4-(2-hydroxyethyl)-1-piperazinyl)ethyl)-,dihydrobromide; 7-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione dihydrobromide; Theophylline,7-(2-(4-(2-hydroxyethyl)-1-piperazinyl)ethyl)-,dihydrobromide;

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7-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione,dihydrobromide Basic Attributes

Molecular Weight：

498.21300

Exact Mass：

498.04126

DSSTox ID：

DTXSID10201708

Characteristics

PSA：

88.53000

XLogP3：

-0.16440

Boiling Point：

585.1ºC

Flash Point：

307.7ºC

Computed Properties

Molecular Weight:498.21
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:498.04126
Monoisotopic Mass:496.04331
Topological Polar Surface Area:85.2
Heavy Atom Count:26
Complexity:482
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 7-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione,dihydrobromide

Basic Attributes
Characteristics
Computed Properties

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