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Details

Stereochemistry ACHIRAL
Molecular Formula C16H18N4O4
Molecular Weight 330.3385
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCN1C2=C(N(C)C(CCC3=CC(O)=C(O)C=C3)=N2)C(=O)NC1=O

InChI

InChIKey=BBQSHEHXMMIGCL-UHFFFAOYSA-N
InChI=1S/C16H18N4O4/c1-3-20-14-13(15(23)18-16(20)24)19(2)12(17-14)7-5-9-4-6-10(21)11(22)8-9/h4,6,8,21-22H,3,5,7H2,1-2H3,(H,18,23,24)

HIDE SMILES / InChI

Molecular Formula C16H18N4O4
Molecular Weight 330.3385
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 Dec 16 15:08:58 GMT 2023
Edited
by admin
on Sat Dec 16 15:08:58 GMT 2023
Record UNII
YV1C905XYF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-DEETHYL-3',4'-O-DIDEMETHYL-HYDROGENATED ISTRADEFYLLINE
Common Name English
ISTRADEFYLLINE METABOLITE M13
Common Name English
8-(2-(3,4-DIHYDROXYPHENYL)ETHYL)-3-ETHYL-7-METHYL-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
FDA UNII
YV1C905XYF
Created by admin on Sat Dec 16 15:08:58 GMT 2023 , Edited by admin on Sat Dec 16 15:08:58 GMT 2023
PRIMARY
PUBCHEM
145721948
Created by admin on Sat Dec 16 15:08:58 GMT 2023 , Edited by admin on Sat Dec 16 15:08:58 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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