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Details

Stereochemistry RACEMIC
Molecular Formula C14H19N4O5S.C2H6O.Na
Molecular Weight 424.448
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TY-51924 Sodium Monoethanolate

SMILES

[Na+].CCO.CC1=C(C=C2CCCCC(COS([O-])(=O)=O)C2=N1)C(=O)N=C(N)N

InChI

InChIKey=OMSDUSBABXWLFG-UHFFFAOYSA-M
InChI=1S/C14H20N4O5S.C2H6O.Na/c1-8-11(13(19)18-14(15)16)6-9-4-2-3-5-10(12(9)17-8)7-23-24(20,21)22;1-2-3;/h6,10H,2-5,7H2,1H3,(H,20,21,22)(H4,15,16,18,19);3H,2H2,1H3;/q;;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
TY-51924 Sodium Monoethanolate
Code English
TY51924 Sodium Monoethanolate
Preferred Name English
5H-Cyclohepta[b]pyridine-3-carboxamide, N-(aminoiminomethyl)-6,7,8,9-tetrahydro-2-methyl-9-[(sulfooxy)methyl]-, sodium salt, compd. with ethanol (1:1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
E2V5P4EHY2
Created by admin on Tue Apr 01 16:39:45 GMT 2025 , Edited by admin on Tue Apr 01 16:39:45 GMT 2025
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CAS
1614265-31-4
Created by admin on Tue Apr 01 16:39:45 GMT 2025 , Edited by admin on Tue Apr 01 16:39:45 GMT 2025
PRIMARY
PUBCHEM
73387078
Created by admin on Tue Apr 01 16:39:45 GMT 2025 , Edited by admin on Tue Apr 01 16:39:45 GMT 2025
PRIMARY