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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

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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY