8-(CYCLOHEPTYLOXY)-CAFFEINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H22N4O3
Molecular Weight	306.3602
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(CYCLOHEPTYLOXY)-CAFFEINE

Structure Search

SMILES

CN1C(OC2CCCCCC2)=NC3=C1C(=O)N(C)C(=O)N3C

InChI

InChIKey=ZDVVOJQIAFYYLU-UHFFFAOYSA-N

InChI=1S/C15H22N4O3/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)22-10-8-6-4-5-7-9-10/h10H,4-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C15H22N4O3
Molecular Weight	306.3602
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 `Tue Apr 01 19:59:17 GMT 2025` Edited by `admin` on `Tue Apr 01 19:59:17 GMT 2025`
Record UNII	W1AEH6832L
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

8-(CYCLOHEPTYLOXY)-CAFFEINE

Systematic Name

English

NSC-106197

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

52352

Created by admin on Tue Apr 01 19:59:17 GMT 2025 , Edited by admin on Tue Apr 01 19:59:17 GMT 2025

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NSC

106197

Created by admin on Tue Apr 01 19:59:17 GMT 2025 , Edited by admin on Tue Apr 01 19:59:17 GMT 2025

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EPA CompTox

DTXSID30224070

Created by admin on Tue Apr 01 19:59:17 GMT 2025 , Edited by admin on Tue Apr 01 19:59:17 GMT 2025

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FDA UNII

W1AEH6832L

Created by admin on Tue Apr 01 19:59:17 GMT 2025 , Edited by admin on Tue Apr 01 19:59:17 GMT 2025

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CAS

73747-31-6

Created by admin on Tue Apr 01 19:59:17 GMT 2025 , Edited by admin on Tue Apr 01 19:59:17 GMT 2025

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