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Details

Stereochemistry RACEMIC
Molecular Formula C11H16N4O4
Molecular Weight 268.2691
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(3-HYDROXY-2-METHOXYPROPYL)THEOPHYLLINE

SMILES

COC(CO)CN1C=NC2=C1C(=O)N(C)C(=O)N2C

InChI

InChIKey=MWHUOIPSHHCTDK-UHFFFAOYSA-N
InChI=1S/C11H16N4O4/c1-13-9-8(10(17)14(2)11(13)18)15(6-12-9)4-7(5-16)19-3/h6-7,16H,4-5H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
7-(3-HYDROXY-2-METHOXYPROPYL)THEOPHYLLINE
Systematic Name English
3,7-DIHYDRO-7-(3-HYDROXY-2-METHOXYPROPYL)-1,3-DIMETHYL-1H-PURINE-2,6-DIONE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-7-(3-HYDROXY-2-METHOXYPROPYL)-1,3-DIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
8U5G3AS9DE
Created by admin on Sat Dec 16 12:02:48 GMT 2023 , Edited by admin on Sat Dec 16 12:02:48 GMT 2023
PRIMARY
PUBCHEM
24846501
Created by admin on Sat Dec 16 12:02:48 GMT 2023 , Edited by admin on Sat Dec 16 12:02:48 GMT 2023
PRIMARY
CAS
117069-94-0
Created by admin on Sat Dec 16 12:02:48 GMT 2023 , Edited by admin on Sat Dec 16 12:02:48 GMT 2023
PRIMARY
NIH
NCATS
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