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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N4O2.C4H11NO2
Molecular Weight 285.2997
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEOPHYLLINE DIETHANOLAMINE

SMILES

OCCNCCO.CN1C2=C(NC=N2)C(=O)N(C)C1=O

InChI

InChIKey=XYBFIZMXHHNHKG-UHFFFAOYSA-N
InChI=1S/C7H8N4O2.C4H11NO2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;6-3-1-5-2-4-7/h3H,1-2H3,(H,8,9);5-7H,1-4H2

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
THEOPHYLLINE DIETHANOLAMINE
MI  
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 2,2'-IMINOBIS(ETHANOL) (1:1)
Systematic Name English
THEOPHYLLINE DIETHANOLAMINE [MI]
Common Name English
Code System Code Type Description
PUBCHEM
122562
Created by admin on Sat Dec 16 01:35:34 UTC 2023 , Edited by admin on Sat Dec 16 01:35:34 UTC 2023
PRIMARY
FDA UNII
X3D62BXX1R
Created by admin on Sat Dec 16 01:35:34 UTC 2023 , Edited by admin on Sat Dec 16 01:35:34 UTC 2023
PRIMARY
CAS
32156-80-2
Created by admin on Sat Dec 16 01:35:34 UTC 2023 , Edited by admin on Sat Dec 16 01:35:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID90954028
Created by admin on Sat Dec 16 01:35:34 UTC 2023 , Edited by admin on Sat Dec 16 01:35:34 UTC 2023
PRIMARY
PARENT (SALT/SOLVATE)
Structure of DIETHANOLAMINE
NIH
NCATS
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