8-CYCLOPENTYLTHEOPHYLLINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16N4O2
Molecular Weight	248.281
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-CYCLOPENTYLTHEOPHYLLINE

Structure Search

SMILES

CN1C2=C(NC(=N2)C3CCCC3)C(=O)N(C)C1=O

InChI

InChIKey=SCVHFRLUNIOSGI-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Adenosine A1 receptor 50 Target ID: CHEMBL318 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10051768 \| https://www.ncbi.nlm.nih.gov/pubmed/10530813	Antagonist 2778		11.0 nM [Ki]

Name

Type

Language

8-CYCLOPENTYLTHEOPHYLLINE

Systematic Name

English

1H-PURINE-2,6-DIONE, 8-CYCLOPENTYL-3,7-DIHYDRO-1,3-DIMETHYL-

Systematic Name

English

1H-PURINE-2,6-DIONE, 8-CYCLOPENTYL-3,9-DIHYDRO-1,3-DIMETHYL-

Systematic Name

English

1,3-DIMETHYL-8-CYCLOPENTYLXANTHINE

Systematic Name

English

PD-116600

Code

English

8-CYCLOPENTYL-1,3-DIMETHYLXANTHINE

Systematic Name

English

8-CYCLOPENTYL-3,9-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE

Systematic Name

English

NSC-101806

Code

English

Code System Code Type Description

FDA UNII

U7PWT4CPL5

Created by admin on Fri Dec 15 18:34:36 GMT 2023 , Edited by admin on Fri Dec 15 18:34:36 GMT 2023

PRIMARY

PUBCHEM

1917

Created by admin on Fri Dec 15 18:34:36 GMT 2023 , Edited by admin on Fri Dec 15 18:34:36 GMT 2023

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CAS

35873-49-5

Created by admin on Fri Dec 15 18:34:36 GMT 2023 , Edited by admin on Fri Dec 15 18:34:36 GMT 2023

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NSC

101806

Created by admin on Fri Dec 15 18:34:36 GMT 2023 , Edited by admin on Fri Dec 15 18:34:36 GMT 2023

PRIMARY

WIKIPEDIA

8-Cyclopentyl-1,3-dimethylxanthine

Created by admin on Fri Dec 15 18:34:36 GMT 2023 , Edited by admin on Fri Dec 15 18:34:36 GMT 2023

PRIMARY

EPA CompTox

DTXSID70189432

Created by admin on Fri Dec 15 18:34:36 GMT 2023 , Edited by admin on Fri Dec 15 18:34:36 GMT 2023

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SUBSTANCE RECORD


					U7PWT4CPL5

8-CYCLOPENTYLTHEOPHYLLINE