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Details

Stereochemistry ACHIRAL
Molecular Formula C11H15N5O3
Molecular Weight 265.2685
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-[2-(N-Acetylamino)ethyl]theophylline

SMILES

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

InChI

InChIKey=XNAXSFXISYNXCH-UHFFFAOYSA-N
InChI=1S/C11H15N5O3/c1-7(17)12-4-5-16-6-13-9-8(16)10(18)15(3)11(19)14(9)2/h6H,4-5H2,1-3H3,(H,12,17)

HIDE SMILES / InChI

Approval Year

Name Type Language
7-[2-(N-Acetylamino)ethyl]theophylline
Common Name English
N-[2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl]acetamide
Systematic Name English
Acetamide, N-[2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
168429498
Created by admin on Sat Dec 16 19:34:31 GMT 2023 , Edited by admin on Sat Dec 16 19:34:31 GMT 2023
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FDA UNII
V96P8QW3XT
Created by admin on Sat Dec 16 19:34:31 GMT 2023 , Edited by admin on Sat Dec 16 19:34:31 GMT 2023
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CAS
51775-33-8
Created by admin on Sat Dec 16 19:34:31 GMT 2023 , Edited by admin on Sat Dec 16 19:34:31 GMT 2023
PRIMARY