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Details

Stereochemistry ACHIRAL
Molecular Formula C18H20N4O6
Molecular Weight 388.3753
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCn1c2c(c(=O)n(CC(=O)O)c1=O)n(C)c(CCc3ccc(c(c3)O)O)n2

InChI

InChIKey=NKPZRHCJXMKGNT-UHFFFAOYSA-N
InChI=1S/C18H20N4O6/c1-3-21-16-15(17(27)22(18(21)28)9-14(25)26)20(2)13(19-16)7-5-10-4-6-11(23)12(24)8-10/h4,6,8,23-24H,3,5,7,9H2,1-2H3,(H,25,26)

HIDE SMILES / InChI

Molecular Formula C18H20N4O6
Molecular Weight 388.3753
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:20:40 UTC 2021
Edited
by admin
on Sat Jun 26 07:20:40 UTC 2021
Record UNII
G2E7E4E4HK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3',4'-O-DIDEMETHYL-1-BETA CARBOXYLATED HYDROGENATED ISTRADEFYLLINE
Common Name English
2-(8-(2-(3,4-DIHYDROXYPHENYL)ETHYL)-3-ETHYL-7-METHYL-2,6-DIOXO-PURIN-1-YL)ACETIC ACID
Systematic Name English
ISTRADEFYLLINE METABOLITE M18
Common Name English
Code System Code Type Description
PUBCHEM
145721986
Created by admin on Sat Jun 26 07:20:40 UTC 2021 , Edited by admin on Sat Jun 26 07:20:40 UTC 2021
PRIMARY
FDA UNII
G2E7E4E4HK
Created by admin on Sat Jun 26 07:20:40 UTC 2021 , Edited by admin on Sat Jun 26 07:20:40 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL