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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14N4O3
Molecular Weight 238.2432
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-ETHOXYCAFFEINE

SMILES

CCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C

InChI

InChIKey=LCYXNYNRVOBSHK-UHFFFAOYSA-N
InChI=1S/C10H14N4O3/c1-5-17-9-11-7-6(12(9)2)8(15)14(4)10(16)13(7)3/h5H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
8-ETHOXYCAFFEINE
Systematic Name English
NSC-8812
Preferred Name English
ETHOXYCAFFEINE, 8-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20206406
Created by admin on Mon Mar 31 18:47:22 GMT 2025 , Edited by admin on Mon Mar 31 18:47:22 GMT 2025
PRIMARY
FDA UNII
271190XI98
Created by admin on Mon Mar 31 18:47:22 GMT 2025 , Edited by admin on Mon Mar 31 18:47:22 GMT 2025
PRIMARY
NSC
8812
Created by admin on Mon Mar 31 18:47:22 GMT 2025 , Edited by admin on Mon Mar 31 18:47:22 GMT 2025
PRIMARY
PUBCHEM
11347
Created by admin on Mon Mar 31 18:47:22 GMT 2025 , Edited by admin on Mon Mar 31 18:47:22 GMT 2025
PRIMARY
CAS
577-66-2
Created by admin on Mon Mar 31 18:47:22 GMT 2025 , Edited by admin on Mon Mar 31 18:47:22 GMT 2025
PRIMARY
MESH
C020899
Created by admin on Mon Mar 31 18:47:22 GMT 2025 , Edited by admin on Mon Mar 31 18:47:22 GMT 2025
PRIMARY