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Merck

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
NACRES:
NA.77
PubChem Substance ID:
24277730
UNSPSC Code:
12352200
MDL number:
MFCD00055116
Assay:
≥98% (HPLC)
Form:
powder
Quality level:
100

Key Documents

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InChI key

SCVHFRLUNIOSGI-UHFFFAOYSA-N

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)

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

Quality Level

100

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
096M4718V
016M4760V
085M4734V
084M4708V
064M4707V

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