U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H25N5O3
Molecular Weight 347.4121
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((((7R,9AS)-OCTAHYDRO-2-(2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID

SMILES

OC(=O)CCC(=O)NC[C@H]1CC[C@H]2CN(CCN2C1)C3=NC=CC=N3

InChI

InChIKey=DGQGDUJCPZGHAE-KGLIPLIRSA-N
InChI=1S/C17H25N5O3/c23-15(4-5-16(24)25)20-10-13-2-3-14-12-22(9-8-21(14)11-13)17-18-6-1-7-19-17/h1,6-7,13-14H,2-5,8-12H2,(H,20,23)(H,24,25)/t13-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H25N5O3
Molecular Weight 347.4121
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:29:30 GMT 2025
Edited
by admin
on Wed Apr 02 08:29:30 GMT 2025
Record UNII
9M2JP47PFK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-93,393 METABOLITE M9
Preferred Name English
4-((((7R,9AS)-OCTAHYDRO-2-(2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID
Systematic Name English
BUTANOIC ACID, 4-((((7R,9AS)-OCTAHYDRO-2-(2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXO-
Systematic Name English
BUTANOIC ACID, 4-(((OCTAHYDRO-2-(2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXO-, (7R-TRANS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
154731568
Created by admin on Wed Apr 02 08:29:30 GMT 2025 , Edited by admin on Wed Apr 02 08:29:30 GMT 2025
PRIMARY
CAS
202518-29-4
Created by admin on Wed Apr 02 08:29:30 GMT 2025 , Edited by admin on Wed Apr 02 08:29:30 GMT 2025
PRIMARY
FDA UNII
9M2JP47PFK
Created by admin on Wed Apr 02 08:29:30 GMT 2025 , Edited by admin on Wed Apr 02 08:29:30 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN EXTENSIVE METABOLIZERS
PLASMA
PARENT -> METABOLITE
IN POOR METABOLIZERS
URINE
PARENT -> METABOLITE
IN POOR METABOLIZERS
PLASMA
PARENT -> METABOLITE
IN EXTENSIVE METABOLIZERS
URINE