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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22N4O6
Molecular Weight 414.4127
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

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

SMILES

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

InChI

InChIKey=IFXGNJXTRYQSLJ-VQHVLOKHSA-N
InChI=1S/C20H22N4O6/c1-5-23-18-17(19(27)24(20(23)28)11-16(25)26)22(2)15(21-18)9-7-12-6-8-13(29-3)14(10-12)30-4/h6-10H,5,11H2,1-4H3,(H,25,26)/b9-7+

HIDE SMILES / InChI

Molecular Formula C20H22N4O6
Molecular Weight 414.4127
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 11:14:01 UTC 2021
Edited
by admin
on Sat Jun 26 11:14:01 UTC 2021
Record UNII
5EM6OCN637
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-BETA-CARBOXYLATED ISTRADEFYLLINE
Common Name English
2-(8-((E)-2-(3,4-DIMETHOXYPHENYL)VINYL)-3-ETHYL-7-METHYL-2,6-DIOXO-PURIN-1-YL)ACETIC ACID
Systematic Name English
ISTRADEFYLLINE METABOLITE M17
Common Name English
Code System Code Type Description
FDA UNII
5EM6OCN637
Created by admin on Sat Jun 26 11:14:01 UTC 2021 , Edited by admin on Sat Jun 26 11:14:01 UTC 2021
PRIMARY
PUBCHEM
145721942
Created by admin on Sat Jun 26 11:14:01 UTC 2021 , Edited by admin on Sat Jun 26 11:14:01 UTC 2021
PRIMARY
Related Record Type Details
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