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Details

Stereochemistry ACHIRAL
Molecular Formula C9H5N6O.Na.H2O
Molecular Weight 254.1806
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDL-427

SMILES

O.[Na+].O=C1N(C=NC2=CC=CC=C12)C3=NN=N[N-]3

InChI

InChIKey=WYCHZOJZQIAQGU-UHFFFAOYSA-N
InChI=1S/C9H5N6O.Na.H2O/c16-8-6-3-1-2-4-7(6)10-5-15(8)9-11-13-14-12-9;;/h1-5H;;1H2/q-1;+1;

HIDE SMILES / InChI

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H6N6O
Molecular Weight 214.1835
Charge 0
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 Fri Dec 15 15:48:00 GMT 2023
Edited
by admin
on Fri Dec 15 15:48:00 GMT 2023
Record UNII
W2M6QW1U18
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MDL-427
Code English
3-(1H-TETRAZOL-5-YL)-4(3H)-QUINAZOLINONE SODIUM SALT MONOHYDRATE
Systematic Name English
Code System Code Type Description
FDA UNII
W2M6QW1U18
Created by admin on Fri Dec 15 15:48:00 GMT 2023 , Edited by admin on Fri Dec 15 15:48:00 GMT 2023
PRIMARY
PUBCHEM
53319843
Created by admin on Fri Dec 15 15:48:00 GMT 2023 , Edited by admin on Fri Dec 15 15:48:00 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE