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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H32N4O10
Molecular Weight 548.5424
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

CCN1C2=C(N(C)C(CCC3=CC(OC)=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)=N2)C(=O)N(CC)C1=O

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

Approval Year

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 Dec 16 15:05:47 GMT 2023 , Edited by admin on Sat Dec 16 15:05:47 GMT 2023
PRIMARY
FDA UNII
O303YH07AQ
Created by admin on Sat Dec 16 15:05:47 GMT 2023 , Edited by admin on Sat Dec 16 15:05:47 GMT 2023
PRIMARY