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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H7N2O3.Na
Molecular Weight 202.1425
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium (S)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate

SMILES

[Na+].[O-]C(=O)[C@@H]1CCC2=NC=CC(=O)N12

InChI

InChIKey=LRRYFHNJQIJOSH-JEDNCBNOSA-M
InChI=1S/C8H8N2O3.Na/c11-7-3-4-9-6-2-1-5(8(12)13)10(6)7;/h3-5H,1-2H2,(H,12,13);/q;+1/p-1/t5-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C8H7N2O3
Molecular Weight 179.1528
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:53:11 GMT 2025
Edited
by admin
on Wed Apr 02 19:53:11 GMT 2025
Record UNII
99YS5V9KDE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pyrrolo[1,2-a]pyrimidine-6-carboxylic acid, 4,6,7,8-tetrahydro-4-oxo-, sodium salt (1:1), (6S)-
Preferred Name English
Sodium (S)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylate
Systematic Name English
Code System Code Type Description
CAS
1421271-01-3
Created by admin on Wed Apr 02 19:53:11 GMT 2025 , Edited by admin on Wed Apr 02 19:53:11 GMT 2025
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FDA UNII
99YS5V9KDE
Created by admin on Wed Apr 02 19:53:11 GMT 2025 , Edited by admin on Wed Apr 02 19:53:11 GMT 2025
PRIMARY
PUBCHEM
122202493
Created by admin on Wed Apr 02 19:53:11 GMT 2025 , Edited by admin on Wed Apr 02 19:53:11 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE