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Details

Stereochemistry RACEMIC
Molecular Formula C11H14N4O4
Molecular Weight 266.2533
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3,6-TETRAHYDRO-.ALPHA.,1,3-TRIMETHYL-2,6-DIOXO-7H-PURINE-7-PROPANOIC ACID

SMILES

CC(CN1C=NC2=C1C(=O)N(C)C(=O)N2C)C(O)=O

InChI

InChIKey=VLQZZTPOLRMVJX-UHFFFAOYSA-N
InChI=1S/C11H14N4O4/c1-6(10(17)18)4-15-5-12-8-7(15)9(16)14(3)11(19)13(8)2/h5-6H,4H2,1-3H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C11H14N4O4
Molecular Weight 266.2533
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:41:06 GMT 2023
Edited
by admin
on Sat Dec 16 16:41:06 GMT 2023
Record UNII
NKW8AM0POK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,3,6-TETRAHYDRO-.ALPHA.,1,3-TRIMETHYL-2,6-DIOXO-7H-PURINE-7-PROPANOIC ACID
Systematic Name English
7H-PURINE-7-PROPANOIC ACID, 1,2,3,6-TETRAHYDRO-.ALPHA.,1,3-TRIMETHYL-2,6-DIOXO-
Systematic Name English
ISBUFYLLINE METABOLITE IV
Common Name English
Code System Code Type Description
CAS
153695-92-2
Created by admin on Sat Dec 16 16:41:06 GMT 2023 , Edited by admin on Sat Dec 16 16:41:06 GMT 2023
PRIMARY
FDA UNII
NKW8AM0POK
Created by admin on Sat Dec 16 16:41:06 GMT 2023 , Edited by admin on Sat Dec 16 16:41:06 GMT 2023
PRIMARY
PUBCHEM
54398406
Created by admin on Sat Dec 16 16:41:06 GMT 2023 , Edited by admin on Sat Dec 16 16:41:06 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE