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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H11N2O3.Na
Molecular Weight 206.1743
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PENTIZIDONE SODIUM ANHYDROUS

SMILES

[Na+].CC(=O)\C=C(/C)N[C@@H]1CO[N-]C1=O

InChI

InChIKey=RNZYSARTHBLHQB-OGFXRTJISA-M
InChI=1S/C8H12N2O3.Na/c1-5(3-6(2)11)9-7-4-13-10-8(7)12;/h3,7H,4H2,1-2H3,(H2,9,10,11,12);/q;+1/p-1/t7-;/m1./s1

HIDE SMILES / InChI

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 C8H12N2O3
Molecular Weight 184.1925
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:54:44 UTC 2023
Edited
by admin
on Fri Dec 15 15:54:44 UTC 2023
Record UNII
VSM253T8YI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTIZIDONE SODIUM ANHYDROUS
Common Name English
3-ISOXAZOLIDINONE, 4-((1-METHYL-3-OXO-1-BUTEN-1-YL)AMINO)-, SODIUM SALT (1:1), (4R)-
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
259-759-3
Created by admin on Fri Dec 15 15:54:44 UTC 2023 , Edited by admin on Fri Dec 15 15:54:44 UTC 2023
PRIMARY
CAS
55694-87-6
Created by admin on Fri Dec 15 15:54:44 UTC 2023 , Edited by admin on Fri Dec 15 15:54:44 UTC 2023
PRIMARY
FDA UNII
VSM253T8YI
Created by admin on Fri Dec 15 15:54:44 UTC 2023 , Edited by admin on Fri Dec 15 15:54:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID50971059
Created by admin on Fri Dec 15 15:54:44 UTC 2023 , Edited by admin on Fri Dec 15 15:54:44 UTC 2023
PRIMARY
PUBCHEM
23684615
Created by admin on Fri Dec 15 15:54:44 UTC 2023 , Edited by admin on Fri Dec 15 15:54:44 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY