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Details

Stereochemistry ACHIRAL
Molecular Formula C20H24N4O5
Molecular Weight 400.4291
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-BETA-HYDROXYLATED ISTRADEFYLLINE

SMILES

CCn1c2c(c(=O)n(CCO)c1=O)n(C)c(/C(/[H])=C(\[H])/c3ccc(c(c3)OC)OC)n2

InChI

InChIKey=CUDODEWTTVIQNG-VQHVLOKHSA-N
InChI=1S/C20H24N4O5/c1-5-23-18-17(19(26)24(10-11-25)20(23)27)22(2)16(21-18)9-7-13-6-8-14(28-3)15(12-13)29-4/h6-9,12,25H,5,10-11H2,1-4H3/b9-7+

HIDE SMILES / InChI

Molecular Formula C20H24N4O5
Molecular Weight 400.4291
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:43:26 UTC 2021
Edited
by admin
on Sat Jun 26 14:43:26 UTC 2021
Record UNII
4198IAF0OH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-BETA-HYDROXYLATED ISTRADEFYLLINE
Systematic Name English
ISTRADEFYLLINE METABOLITE M8
Common Name English
8-((E)-2-(3,4-DIMETHOXYPHENYL)VINYL)-3-ETHYL-1-(2-HYDROXYETHYL)-7-METHYL-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
125300463
Created by admin on Sat Jun 26 14:43:27 UTC 2021 , Edited by admin on Sat Jun 26 14:43:27 UTC 2021
PRIMARY
FDA UNII
4198IAF0OH
Created by admin on Sat Jun 26 14:43:27 UTC 2021 , Edited by admin on Sat Jun 26 14:43:27 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA