Merck
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C102

Sigma-Aldrich

8-Cyclopentyl-1,3-dimethylxanthine

≥98% (HPLC), powder

Synonym(s):
8-Cyclopentyltheophylline, CPT
Empirical Formula (Hill Notation):
C12H16N4O2
CAS Number:
Molecular Weight:
248.28
MDL number:
PubChem Substance ID:
NACRES:
NA.77

Quality Level

assay

≥98% (HPLC)

form

powder

color

white to off-white

solubility

H2O: slightly soluble <0.28 mg/mL
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.77 mg/mL
DMSO: ~16 mg/mL at 60 °C
0.1 M NaOH: soluble

SMILES string

CN1C(=O)N(C)c2nc([nH]c2C1=O)C3CCCC3

InChI

1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)

InChI key

SCVHFRLUNIOSGI-UHFFFAOYSA-N

Gene Information

human ... ADORA1(134)

Packaging

100, 500 mg in glass bottle

Biochem/physiol Actions

Selective A1 adenosine receptor antagonist.

Features and Benefits

This compound is featured on the Adenosine Receptors page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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