8-(2-CYCLOHEXYLETHYL)-THEOPHYLLINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H22N4O2
Molecular Weight	290.3608
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(2-CYCLOHEXYLETHYL)-THEOPHYLLINE

Structure Search

SMILES

CN1C2=C(N=C(CCC3CCCCC3)N2)C(=O)N(C)C1=O

InChI

InChIKey=VKORYKNVGDXUOK-UHFFFAOYSA-N

InChI=1S/C15H22N4O2/c1-18-13-12(14(20)19(2)15(18)21)16-11(17-13)9-8-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,16,17)

HIDE SMILES / InChI

Molecular Formula	C15H22N4O2
Molecular Weight	290.3608
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 19:38:18 GMT 2025` Edited by `admin` on `Tue Apr 01 19:38:18 GMT 2025`
Record UNII	F1IYT4T0UG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8-(2-CYCLOHEXYLETHYL)-THEOPHYLLINE

Systematic Name

English

NSC-14399

Preferred Name

English

1H-PURINE-2,6-DIONE, 8-(2-CYCLOHEXYLETHYL)-3,9-DIHYDRO-1,3-DIMETHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20202620

Created by admin on Tue Apr 01 19:38:18 GMT 2025 , Edited by admin on Tue Apr 01 19:38:18 GMT 2025

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CAS

5426-90-4

Created by admin on Tue Apr 01 19:38:18 GMT 2025 , Edited by admin on Tue Apr 01 19:38:18 GMT 2025

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FDA UNII

F1IYT4T0UG

Created by admin on Tue Apr 01 19:38:18 GMT 2025 , Edited by admin on Tue Apr 01 19:38:18 GMT 2025

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PUBCHEM

95037

Created by admin on Tue Apr 01 19:38:18 GMT 2025 , Edited by admin on Tue Apr 01 19:38:18 GMT 2025

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NSC

14399

Created by admin on Tue Apr 01 19:38:18 GMT 2025 , Edited by admin on Tue Apr 01 19:38:18 GMT 2025

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