Mixture/Component Compounds for PubChem Compound (Select 161556004) - PubChem Compound

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Items: 9

Select item 950361.

an image of a chemical structure CID 95036

Theophylline-8-butyric acid; 5438-71-1; 8-Theophyllinebutyric acid ...

MW:: 266.250
MF:: C₁₁H₁₄N₄O₄

IUPAC name:: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)butanoic acid

Create Date:: 2005-03-26

CID:: 95036

Select item 706392.

an image of a chemical structure CID 70639

3-Methylxanthine; 1076-22-8; 2,6-Dihydroxy-3-methylpurine ...

MW:: 166.140
MF:: C₆H₆N₄O₂

IUPAC name:: 3-methyl-7H-purine-2,6-dione

Create Date:: 2005-03-26

CID:: 70639

Select item 695503.

an image of a chemical structure CID 69550

Acefylline; Theophylline-7-acetic acid; 652-37-9 ...

MW:: 238.200
MF:: C₉H₁₀N₄O₄

IUPAC name:: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid

Create Date:: 2005-03-26

CID:: 69550

Select item 54294.

an image of a chemical structure CID 5429

theobromine; 83-67-0; 3,7-Dimethylxanthine ...

MW:: 180.160
MF:: C₇H₈N₄O₂

IUPAC name:: 3,7-dimethylpurine-2,6-dione

Create Date:: 2004-09-16

CID:: 5429

Select item 37585.

an image of a chemical structure CID 3758

3-Isobutyl-1-methylxanthine; IBMX; 28822-58-4 ...

MW:: 222.240
MF:: C₁₀H₁₄N₄O₂

IUPAC name:: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

Create Date:: 2005-03-25

CID:: 3758

Select item 25196.

an image of a chemical structure CID 2519

caffeine; 58-08-2; Guaranine ...

MW:: 194.190
MF:: C₈H₁₀N₄O₂

IUPAC name:: 1,3,7-trimethylpurine-2,6-dione

Create Date:: 2004-09-16

CID:: 2519

Select item 21537.

an image of a chemical structure CID 2153

theophylline; 58-55-9; 1,3-Dimethylxanthine ...

MW:: 180.160
MF:: C₇H₈N₄O₂

IUPAC name:: 1,3-dimethyl-7H-purine-2,6-dione

Create Date:: 2004-09-16

CID:: 2153

Select item 13268.

an image of a chemical structure CID 1326

Isocaffeine; 519-32-4; 1,3,9-Trimethylxanthine ...

MW:: 194.190
MF:: C₈H₁₀N₄O₂

IUPAC name:: 1,3,9-trimethylpurine-2,6-dione

Create Date:: 2005-03-25

CID:: 1326

Select item 11889.

an image of a chemical structure CID 1188

xanthine; 69-89-6; 2,6-Dihydroxypurine ...

MW:: 152.110
MF:: C₅H₄N₄O₂

IUPAC name:: 3,7-dihydropurine-2,6-dione

Create Date:: 2004-09-16

CID:: 1188

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Chemical Properties

Rule of 5 (9)
Compounds satisfied Lipinski's Rule of Five in evaluating druglikeness. Query: (-5:5[LOGP]) AND (0:500[MOLWT]) AND (0:5[HBDC]) AND (0:10[HBAC]).

BioActivity Experiments

BioAssays, Active (5)
Compounds identified as active in screening experiments

BioAssays, Tested (9)
Compounds identified as tested in screening experiments

Protein 3D Structures (5)
Compounds bound to proteins in atructure biology experiments

BioMedical Annotation

Pharmacological Actions (4)
Therapeutic use and National Library of Medicine (NLM) compound classifications
BioSystems (5)
Compounds involved in biological pathways

Depositor Category