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Details

Stereochemistry ACHIRAL
Molecular Formula C18H22N4O5
Molecular Weight 374.3918
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

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

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

Molecular Formula C18H22N4O5
Molecular Weight 374.3918
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 Fri Jun 25 23:01:43 UTC 2021
Edited
by admin
on Fri Jun 25 23:01:43 UTC 2021
Record UNII
PGF0X8X1QD
Record Status Validated (UNII)
Record Version
  • Download
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 Fri Jun 25 23:01:43 UTC 2021 , Edited by admin on Fri Jun 25 23:01:43 UTC 2021
PRIMARY
FDA UNII
PGF0X8X1QD
Created by admin on Fri Jun 25 23:01:43 UTC 2021 , Edited by admin on Fri Jun 25 23:01:43 UTC 2021
PRIMARY
Related Record Type Details
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