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Details

Stereochemistry MIXED
Molecular Formula C12H19N2O2S.Na
Molecular Weight 278.346
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPIROBARBITAL SODIUM

SMILES

[Na+].CCC1C(C)CC(C)C12C(=O)NC([S-])NC2=O

InChI

InChIKey=ATDIENLHXAJYRN-UHFFFAOYSA-M
InChI=1S/C12H20N2O2S.Na/c1-4-8-6(2)5-7(3)12(8)9(15)13-11(17)14-10(12)16;/h6-8,11,17H,4-5H2,1-3H3,(H,13,15)(H,14,16);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C12H20N2O2S
Molecular Weight 256.364
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Record UNII
4NGD254IO1
Record Status Validated (UNII)
Record Version