8-(CYCLOPENTYLMETHYL)-CAFFEINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H20N4O2
Molecular Weight	276.3342
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(CYCLOPENTYLMETHYL)-CAFFEINE

Structure Search

SMILES

CN1C(CC2CCCC2)=NC3=C1C(=O)N(C)C(=O)N3C

InChI

InChIKey=SULCDSJHCRJOLW-UHFFFAOYSA-N

InChI=1S/C14H20N4O2/c1-16-10(8-9-6-4-5-7-9)15-12-11(16)13(19)18(3)14(20)17(12)2/h9H,4-8H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

NSC-101816

Preferred Name

English

8-(CYCLOPENTYLMETHYL)-CAFFEINE

Systematic Name

English

1H-PURINE-2,6-DIONE, 8-(CYCLOPENTYLMETHYL)-3,7-DIHYDRO-1,3,7-TRIMETHYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

52353

Created by admin on Tue Apr 01 19:44:56 GMT 2025 , Edited by admin on Tue Apr 01 19:44:56 GMT 2025

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CAS

73747-32-7

Created by admin on Tue Apr 01 19:44:56 GMT 2025 , Edited by admin on Tue Apr 01 19:44:56 GMT 2025

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FDA UNII

UH8NI6ZHU4

Created by admin on Tue Apr 01 19:44:56 GMT 2025 , Edited by admin on Tue Apr 01 19:44:56 GMT 2025

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NSC

101816

Created by admin on Tue Apr 01 19:44:56 GMT 2025 , Edited by admin on Tue Apr 01 19:44:56 GMT 2025

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EPA CompTox

DTXSID90224071

Created by admin on Tue Apr 01 19:44:56 GMT 2025 , Edited by admin on Tue Apr 01 19:44:56 GMT 2025

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SUBSTANCE RECORD


					UH8NI6ZHU4

8-(CYCLOPENTYLMETHYL)-CAFFEINE