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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H32N4O10
Molecular Weight 548.5434
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

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

SMILES

CCn1c2c(c(=O)n(CC)c1=O)n(C)c(CCc3ccc(c(c3)OC)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O)n2

InChI

InChIKey=SJYLPHVYMRHWJK-BPJSAFFHSA-N
InChI=1S/C25H32N4O10/c1-5-28-21-16(22(33)29(6-2)25(28)36)27(3)15(26-21)10-8-12-7-9-13(14(11-12)37-4)38-24-19(32)17(30)18(31)20(39-24)23(34)35/h7,9,11,17-20,24,30-32H,5-6,8,10H2,1-4H3,(H,34,35)/t17-,18-,19+,20-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H32N4O10
Molecular Weight 548.5434
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 03:22:17 UTC 2021
Edited
by admin
on Sat Jun 26 03:22:17 UTC 2021
Record UNII
O303YH07AQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-O-DEMETHYL-HYDROGENATED ISTRADEFYLLINE GLUCURONIDE
Common Name English
ISTRADEFYLLINE METABOLITE M11
Common Name English
(2S,3S,4S,5R,6S)-6-(4-(2-(1,3-DIETHYL-7-METHYL-2,6-DIOXO-PURIN-8-YL)ETHYL)-2-METHOXY-PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
145721949
Created by admin on Sat Jun 26 03:22:17 UTC 2021 , Edited by admin on Sat Jun 26 03:22:17 UTC 2021
PRIMARY
FDA UNII
O303YH07AQ
Created by admin on Sat Jun 26 03:22:17 UTC 2021 , Edited by admin on Sat Jun 26 03:22:17 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA; URINE