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Details

Stereochemistry ACHIRAL
Molecular Formula C18H22N4O5
Molecular Weight 374.3911
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-BETA-HYDROXYLATED-3',4'-O-DIDEMETHYL-HYDROGENATED ISTRADEFYLLINE

SMILES

CCN1C2=C(N(C)C(CCC3=CC(O)=C(O)C=C3)=N2)C(=O)N(CCO)C1=O

InChI

InChIKey=ZBGYOFQKVGYZEA-UHFFFAOYSA-N
InChI=1S/C18H22N4O5/c1-3-21-16-15(17(26)22(8-9-23)18(21)27)20(2)14(19-16)7-5-11-4-6-12(24)13(25)10-11/h4,6,10,23-25H,3,5,7-9H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-BETA-HYDROXYLATED-3',4'-O-DIDEMETHYL-HYDROGENATED ISTRADEFYLLINE
Common Name English
ISTRADEFYLLINE METABOLITE M14
Common Name English
8-(2-(3,4-DIHYDROXYPHENYL)ETHYL)-3-ETHYL-1-(2-HYDROXYETHYL)-7-METHYL-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
145722000
Created by admin on Sat Dec 16 15:15:13 GMT 2023 , Edited by admin on Sat Dec 16 15:15:13 GMT 2023
PRIMARY
FDA UNII
PGF0X8X1QD
Created by admin on Sat Dec 16 15:15:13 GMT 2023 , Edited by admin on Sat Dec 16 15:15:13 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of ISTRADEFYLLINE
NIH
NCATS
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