.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-METHYL-3-(1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURIN-7-YL)PROPYL

Details

Stereochemistry	EPIMERIC
Molecular Formula	C17H24N4O9
Molecular Weight	428.3939
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-METHYL-3-(1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURIN-7-YL)PROPYL

Structure Search

SMILES

CC(CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)CN2C=NC3=C2C(=O)N(C)C(=O)N3C

InChI

InChIKey=ZOCRHLSAHMGIFC-WCFSBYOISA-N

InChI=1S/C17H24N4O9/c1-7(5-29-16-11(24)9(22)10(23)12(30-16)15(26)27)4-21-6-18-13-8(21)14(25)20(3)17(28)19(13)2/h6-7,9-12,16,22-24H,4-5H2,1-3H3,(H,26,27)/t7?,9-,10-,11+,12-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H24N4O9
Molecular Weight	428.3939
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:40:02 GMT 2025` Edited by `admin` on `Wed Apr 02 07:40:02 GMT 2025`
Record UNII	MPI93Q9SQM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISBUFYLLINE METABOLITE V

Preferred Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-METHYL-3-(1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURIN-7-YL)PROPYL

Systematic Name

English

2-METHYL-3-(1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURIN-7-YL)PROPYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

154731579

Created by admin on Wed Apr 02 07:40:02 GMT 2025 , Edited by admin on Wed Apr 02 07:40:02 GMT 2025

PRIMARY

CAS

154522-84-6

Created by admin on Wed Apr 02 07:40:02 GMT 2025 , Edited by admin on Wed Apr 02 07:40:02 GMT 2025

PRIMARY

FDA UNII

MPI93Q9SQM

Created by admin on Wed Apr 02 07:40:02 GMT 2025 , Edited by admin on Wed Apr 02 07:40:02 GMT 2025

PRIMARY

Related Record Type Details


					9C8Z5F38D0

ISBUFYLLINE

PARENT -> METABOLITE

Qualification:

URINE