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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H23N5O2
Molecular Weight 329.3968
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUNEPITRON

SMILES

[H][C@@]12CC[C@H](CN3C(=O)CCC3=O)CN1CCN(C2)C4=NC=CC=N4

InChI

InChIKey=UXWBIYCPUVWKHP-KBPBESRZSA-N
InChI=1S/C17H23N5O2/c23-15-4-5-16(24)22(15)11-13-2-3-14-12-21(9-8-20(14)10-13)17-18-6-1-7-19-17/h1,6-7,13-14H,2-5,8-12H2/t13-,14-/m0/s1

HIDE SMILES / InChI
Molecular Formula C17H23N5O2
Molecular Weight 329.3968
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:27:44 UTC 2023
Edited
by admin
on Sat Dec 16 17:27:44 UTC 2023
Record UNII
2GT50C8U60
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUNEPITRON
INN  
INN  
Official Name English
sunepitron [INN]
Common Name English
CP 93393
Code English
CP-93,393
Code English
2,5-PYRROLIDINEDIONE, 1-(((7S,9AS)-OCTAHYDRO-2-(2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)-
Common Name English
CP-93393
Code English
Classification Tree Code System Code
NCI_THESAURUS C47794
Created by admin on Sat Dec 16 17:27:48 UTC 2023 , Edited by admin on Sat Dec 16 17:27:48 UTC 2023
NCI_THESAURUS C29713
Created by admin on Sat Dec 16 17:27:48 UTC 2023 , Edited by admin on Sat Dec 16 17:27:48 UTC 2023
Code System Code Type Description
WIKIPEDIA
Sunepitron
Created by admin on Sat Dec 16 17:27:48 UTC 2023 , Edited by admin on Sat Dec 16 17:27:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID801336204
Created by admin on Sat Dec 16 17:27:48 UTC 2023 , Edited by admin on Sat Dec 16 17:27:48 UTC 2023
PRIMARY
CAS
131831-03-3
Created by admin on Sat Dec 16 17:27:48 UTC 2023 , Edited by admin on Sat Dec 16 17:27:48 UTC 2023
PRIMARY
SMS_ID
100000082983
Created by admin on Sat Dec 16 17:27:48 UTC 2023 , Edited by admin on Sat Dec 16 17:27:48 UTC 2023
PRIMARY
PUBCHEM
183092
Created by admin on Sat Dec 16 17:27:48 UTC 2023 , Edited by admin on Sat Dec 16 17:27:48 UTC 2023
PRIMARY
FDA UNII
2GT50C8U60
Created by admin on Sat Dec 16 17:27:48 UTC 2023 , Edited by admin on Sat Dec 16 17:27:48 UTC 2023
PRIMARY
ChEMBL
CHEMBL2111058
Created by admin on Sat Dec 16 17:27:48 UTC 2023 , Edited by admin on Sat Dec 16 17:27:48 UTC 2023
PRIMARY
INN
7670
Created by admin on Sat Dec 16 17:27:48 UTC 2023 , Edited by admin on Sat Dec 16 17:27:48 UTC 2023
PRIMARY
EVMPD
SUB10774MIG
Created by admin on Sat Dec 16 17:27:48 UTC 2023 , Edited by admin on Sat Dec 16 17:27:48 UTC 2023
PRIMARY
NCI_THESAURUS
C152473
Created by admin on Sat Dec 16 17:27:48 UTC 2023 , Edited by admin on Sat Dec 16 17:27:48 UTC 2023
PRIMARY
Related Record Type Details
5-HYDROXYTRYPTAMINE RECEPTOR 1A
TARGET -> AGONIST
SELECTIVE
Structure of SUNEPITRON HYDROCHLORIDE
SALT/SOLVATE -> PARENT
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
MAJOR
D(2) DOPAMINE RECEPTOR
TARGET -> AGONIST
Related Record Type Details
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((7S,9AS)-7-((2,5-DIOXO-1-PYRROLIDINYL)METHYL)OCTAHYDRO-2H-PYRIDO(1,2-A)PYRAZIN-2-YL)-5-PYRIMIDINYL
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
URINE
Structure of 4-((((7R,9AS)-OCTAHYDRO-2-(2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
URINE
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((7S,9AS)-7-((2,5-DIOXO-1-PYRROLIDINYL)METHYL)OCTAHYDRO-2H-PYRIDO(1,2-A)PYRAZIN-2-YL)-5-PYRIMIDINYL
METABOLITE -> PARENT
IN POOR METABOLIZERS
PLASMA
Structure of 4-((((7R,9AS)-OCTAHYDRO-2-(5-HYDROXY-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID
METABOLITE -> PARENT
IN POOR METABOLIZERS
FECAL
Structure of (7S,9AS)-7-((2,5-DIOXO-1-PYRROLIDINYL)METHYL)OCTAHYDRO-2H-PYRIDO(1,2-A)PYRAZINE-2-CARBOXIMIDAMIDE
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
PLASMA
Structure of 4-((((7R,9AS)-OCTAHYDRO-2-(2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID
METABOLITE -> PARENT
IN POOR METABOLIZERS
URINE
Structure of (7S,9AS)-7-((2,5-DIOXO-1-PYRROLIDINYL)METHYL)OCTAHYDRO-2H-PYRIDO(1,2-A)PYRAZINE-2-CARBOXIMIDAMIDE
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
FECAL
Structure of (7S,9AS)-7-((2,5-DIOXO-1-PYRROLIDINYL)METHYL)OCTAHYDRO-2H-PYRIDO(1,2-A)PYRAZINE-2-CARBOXIMIDAMIDE
METABOLITE -> PARENT
IN POOR METABOLIZERS
URINE
Structure of 4-((((7R,9AS)-OCTAHYDRO-2-(2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID
METABOLITE -> PARENT
IN POOR METABOLIZERS
PLASMA
Structure of 4-((((7R,9AS)-OCTAHYDRO-2-(5-HYDROXY-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
FECAL
Structure of 4-((((7R,9AS)-OCTAHYDRO-2-(5-HYDROXY-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
URINE
Structure of 2-HYDROXY-4-((((7R,9AS)-OCTAHYDRO-2-(5-HYDROXY-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
URINE
Structure of 2-HYDROXY-4-((((7R,9AS)-OCTAHYDRO-2-(5-HYDROXY-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
URINE
Structure of (7S,9AS)-7-((2,5-DIOXO-1-PYRROLIDINYL)METHYL)OCTAHYDRO-2H-PYRIDO(1,2-A)PYRAZINE-2-CARBOXIMIDAMIDE
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
URINE
Structure of 1-(((7S,9AS)-OCTAHYDRO-2-(5-(SULFOOXY)-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)-2,5-PYRROLIDINEDIONE
METABOLITE -> PARENT
IN POOR METABOLIZERS
PLASMA
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((7R,9AS)-7-(((3-CARBOXY-1-OXOPROPYL)AMINO)METHYL)OCTAHYDRO-2H-PYRIDO(1,2-A)PYRAZIN-2-YL)-5-PYRIMIDINYL
METABOLITE -> PARENT
PLASMA
Structure of (7S,9AS)-7-((2,5-DIOXO-1-PYRROLIDINYL)METHYL)OCTAHYDRO-2H-PYRIDO(1,2-A)PYRAZINE-2-CARBOXIMIDAMIDE
METABOLITE -> PARENT
IN POOR METABOLIZERS
FECAL
Structure of 1-(((7S,9AS)-OCTAHYDRO-2-(5-(SULFOOXY)-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)-2,5-PYRROLIDINEDIONE
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
PLASMA
Structure of 4-((((7R,9AS)-OCTAHYDRO-2-(5-HYDROXY-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID
METABOLITE -> PARENT
IN POOR METABOLIZERS
URINE
Structure of (7S,9AS)-7-((2,5-DIOXO-1-PYRROLIDINYL)METHYL)OCTAHYDRO-2H-PYRIDO(1,2-A)PYRAZINE-2-CARBOXIMIDAMIDE
METABOLITE -> PARENT
IN POOR METABOLIZERS
PLASMA
Structure of 1-(((7S,9AS)-OCTAHYDRO-2-(5-(SULFOOXY)-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)-2,5-PYRROLIDINEDIONE
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
URINE
Structure of 4-((((7R,9AS)-OCTAHYDRO-2-(2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
PLASMA
Structure of 1-(((7S,9AS)-OCTAHYDRO-2-(5-(SULFOOXY)-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)-2,5-PYRROLIDINEDIONE
METABOLITE -> PARENT
IN POOR METABOLIZERS
URINE
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((7S,9AS)-7-((2,5-DIOXO-1-PYRROLIDINYL)METHYL)OCTAHYDRO-2H-PYRIDO(1,2-A)PYRAZIN-2-YL)-5-PYRIMIDINYL
METABOLITE -> PARENT
IN EXTENSIVE METABOLIZERS
URINE
Related Record Type Details
Structure of SUNEPITRON
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