4'-O-DEMETHYL-HYDROGENATED ISTRADEFYLLINE GLUCURONIDE

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

Structure Search

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

Molecular Formula	C25H32N4O10
Molecular Weight	548.5424
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 `Thu Jul 06 20:39:34 UTC 2023` Edited by `admin` on `Thu Jul 06 20:39:34 UTC 2023`
Record UNII	O303YH07AQ
Record Status	`Validated (UNII)`
Record Version

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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 Thu Jul 06 20:39:34 UTC 2023 , Edited by admin on Thu Jul 06 20:39:34 UTC 2023

PRIMARY

FDA UNII

O303YH07AQ

Created by admin on Thu Jul 06 20:39:34 UTC 2023 , Edited by admin on Thu Jul 06 20:39:34 UTC 2023

PRIMARY

Related Record Type Details


					2GZ0LIK7T4

ISTRADEFYLLINE

PARENT -> METABOLITE

Qualification:

PLASMA; URINE