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Merck
CN

C102

8-Cyclopentyl-1,3-dimethylxanthine

≥98% (HPLC), powder

Synonym(s):

8-Cyclopentyltheophylline, CPT

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About This Item

Empirical Formula (Hill Notation):
C12H16N4O2
CAS Number:
35873-49-5
Molecular Weight:
248.28
MDL number:
MFCD00055116
UNSPSC Code:
12352200
PubChem Substance ID:
24277730
NACRES:
NA.77

Key Documents

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Quality Level

100

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)

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

11 - 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

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Certificates of Analysis (COA)

Lot/Batch Number
0000474799
0000474799
0000469282
0000469282
0000258426

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