7-(CHLOROETHYL)THEOPHYLLINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H11ClN4O2
Molecular Weight	242.662
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-(CHLOROETHYL)THEOPHYLLINE

Structure Search

SMILES

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

InChI

InChIKey=QCIARNIKNKKHFH-UHFFFAOYSA-N

InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H11ClN4O2
Molecular Weight	242.662
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Synthesis of molecularly imprinted polymer with 7-chloroethyl-theophylline-immobilized silica gel as template and its molecular recognition function.	2004-01	14670483

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:22:21 GMT 2025` Edited by `admin` on `Mon Mar 31 19:22:21 GMT 2025`
Record UNII	Y7202UN6B7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-(CHLOROETHYL)THEOPHYLLINE

Systematic Name

English

BENAPHYLLINE

Preferred Name

English

BENAPHYLLIN

Common Name

English

7-(2-CHLOROETHYL)THEOPHYLLINE

Systematic Name

English

7-(2-CHLOROETHYL)-1,3-DIMETHYLXANTHINE

Systematic Name

English

7-(.BETA.-CHLOROETHYL)THEOPHYLLINE

Systematic Name

English

NSC-337614

Code

English

THEOPHYLLINE, 7-(2-CHLOROETHYL)-

Systematic Name

English

1H-PURINE-2,6-DIONE, 7-(2-CHLOROETHYL)-3,7-DIHYDRO-1,3-DIMETHYL-

Systematic Name

English

.BETA.-CHLOROETHYLTHEOPHYLLINE

Systematic Name

English

EUPNOPHILE

Brand Name

English

Code System Code Type Description

EPA CompTox

DTXSID80207510