8-(CYCLOPENTYLOXY)-CAFFEINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18N4O3
Molecular Weight	278.307
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(CYCLOPENTYLOXY)-CAFFEINE

Structure Search

SMILES

CN1C(OC2CCCC2)=NC3=C1C(=O)N(C)C(=O)N3C

InChI

InChIKey=DBMKBAZKDMFYLG-UHFFFAOYSA-N

InChI=1S/C13H18N4O3/c1-15-9-10(16(2)13(19)17(3)11(9)18)14-12(15)20-8-6-4-5-7-8/h8H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H18N4O3
Molecular Weight	278.307
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:52:46 GMT 2023` Edited by `admin` on `Sat Dec 16 12:52:46 GMT 2023`
Record UNII	P1RQJ61TKA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

8-(CYCLOPENTYLOXY)-CAFFEINE

Systematic Name

English

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

Systematic Name

English

NSC-106196

Code

English

Code System Code Type Description

CAS

73747-33-8

Created by admin on Sat Dec 16 12:52:46 GMT 2023 , Edited by admin on Sat Dec 16 12:52:46 GMT 2023

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PUBCHEM

52354

Created by admin on Sat Dec 16 12:52:46 GMT 2023 , Edited by admin on Sat Dec 16 12:52:46 GMT 2023

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EPA CompTox

DTXSID50224072

Created by admin on Sat Dec 16 12:52:46 GMT 2023 , Edited by admin on Sat Dec 16 12:52:46 GMT 2023

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NSC

106196

Created by admin on Sat Dec 16 12:52:46 GMT 2023 , Edited by admin on Sat Dec 16 12:52:46 GMT 2023

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FDA UNII

P1RQJ61TKA

Created by admin on Sat Dec 16 12:52:46 GMT 2023 , Edited by admin on Sat Dec 16 12:52:46 GMT 2023

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