BIAdb Caffeine 1661

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BIAdb Caffeine 1661
Systematic (IUPAC) name
1,3,7-trimethylpurine-2,6-dione
Identifiers
CAS number  ?
ATC code  ?
PubChem 2519
Chemical data
Formula C8H10N4O2
Mol. mass 194.1906
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

Contents

[edit] Description

[edit] Source

Camellia taliensis

[edit] Function

Smooth muscle relaxant

[edit] General Properties

*Molecular Weight

194.1906

*Exact Mass

194.080376

*Molecular Formula

C8H10N4O2

*IUPAC NAME

1,3,7-trimethylpurine-2,6-dione

*Canonical Smiles

CN1C=NC2=C1C(=O)N(C(=O)N2C)C

*Isomeric Smiles

N/A

*XLogP

-0.1

*Hydrogen bond donor

0

*Hydrogen bond acceptor

3

*Rotational Bond Count

0

*Topological Polar Surface Area

58.4

[edit] External Links

Link to BIAdb Database