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Details

Stereochemistry ACHIRAL
Molecular Formula C19H22N4O4
Molecular Weight 370.4031
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4'-O-DEMETHYL ISTRADEFYLLINE

SMILES

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

InChI

InChIKey=OHGCYFOMTIEDMR-CSKARUKUSA-N
InChI=1S/C19H22N4O4/c1-5-22-17-16(18(25)23(6-2)19(22)26)21(3)15(20-17)10-8-12-7-9-13(24)14(11-12)27-4/h7-11,24H,5-6H2,1-4H3/b10-8+

HIDE SMILES / InChI

Molecular Formula C19H22N4O4
Molecular Weight 370.4031
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 06:42:52 UTC 2021
Edited
by admin
on Sat Jun 26 06:42:52 UTC 2021
Record UNII
I2P9NA76OG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-O-DEMETHYL ISTRADEFYLLINE
Common Name English
1H-PURINE-2,6-DIONE, 1,3-DIETHYL-3,7-DIHYDRO-8-(2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL)-7-METHYL-, (E)-
Systematic Name English
ISTRADEFYLLINE METABOLITE M1
Common Name English
1,3-DIETHYL-8-((E)-2-(4-HYDROXY-3-METHOXY-PHENYL)VINYL)-7-METHYL-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
FDA UNII
I2P9NA76OG
Created by admin on Sat Jun 26 06:42:52 UTC 2021 , Edited by admin on Sat Jun 26 06:42:52 UTC 2021
PRIMARY
CAS
160434-48-0
Created by admin on Sat Jun 26 06:42:52 UTC 2021 , Edited by admin on Sat Jun 26 06:42:52 UTC 2021
PRIMARY
PUBCHEM
135665340
Created by admin on Sat Jun 26 06:42:52 UTC 2021 , Edited by admin on Sat Jun 26 06:42:52 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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