7-(2-Aminoethyl)theophylline

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H13N5O2
Molecular Weight	223.2318
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-(2-Aminoethyl)theophylline

Structure Search

SMILES

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

InChI

InChIKey=XUTQHTZFMFGXDJ-UHFFFAOYSA-N

InChI=1S/C9H13N5O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4,10H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

7-(2-Aminoethyl)theophylline

Systematic Name

English

7-(2-Aminoethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Systematic Name

English

NSC-250770

Code

English

1H-Purine-2,6-dione, 7-(2-aminoethyl)-3,7-dihydro-1,3-dimethyl-

Systematic Name

English

Theophylline, 7-(2-aminoethyl)-

Systematic Name

English

Fenethylline metabolite M4

Common Name

English

Code System Code Type Description

FDA UNII

A8WQD8A7TZ

Created by admin on Sat Dec 16 12:26:04 GMT 2023 , Edited by admin on Sat Dec 16 12:26:04 GMT 2023

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ECHA (EC/EINECS)

252-436-8

Created by admin on Sat Dec 16 12:26:04 GMT 2023 , Edited by admin on Sat Dec 16 12:26:04 GMT 2023

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PUBCHEM

99619

Created by admin on Sat Dec 16 12:26:04 GMT 2023 , Edited by admin on Sat Dec 16 12:26:04 GMT 2023

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CAS

35206-02-1

Created by admin on Sat Dec 16 12:26:04 GMT 2023 , Edited by admin on Sat Dec 16 12:26:04 GMT 2023

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NSC

250770

Created by admin on Sat Dec 16 12:26:04 GMT 2023 , Edited by admin on Sat Dec 16 12:26:04 GMT 2023

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EPA CompTox

DTXSID00188711

Created by admin on Sat Dec 16 12:26:04 GMT 2023 , Edited by admin on Sat Dec 16 12:26:04 GMT 2023

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PARENT (METABOLITE)


					YZ0N7VL5R3

SUBSTANCE RECORD


					A8WQD8A7TZ

7-(2-Aminoethyl)theophylline