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Substance Name: Saccharin calcium [USP]
RN: 6381-91-5
UNII: 5101OP7P2I
InChIKey: NNOYLBKZPCUCQT-UHFFFAOYSA-L

Note

  • Flavoring agent and non-nutritive sweetener.

Molecular Formulas

  • C14-H8-Ca-N2-O6-S2.5/2H2-O
  • C7-H5-N-O3-S
  • C7-H5-N-O3-S.1/2Ca.7/4H2-O

Molecular Weight

  • 530.5388
 

Classification Codes

  • Flavoring Agents
  • Sweetener (Non-Nutritive)
  • Sweetening Agents
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Names and Synonyms

Name of Substance

  • Saccharin calcium [USP]

Synonyms

  • 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, calcium salt, hydrate (2:7)
  • 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, calcium salt, hydrate (4:7)
  • 1,2-Benzisothiazolin-3-one 1,1-dioxide calcium salt hydrate (2:7)
  • 1,2-Benzisothiazolin-3-one 1,1-dioxide calcium salt hydrate (4:7)
  • Calcium 1,2-benzisothiazolin-3-one 1,1-dioxide hydrate
  • Calcium O-benzosulfimide hydrate
  • Calcium saccharin hydrate
  • Saccharin calcium
  • Saccharin calcium hydrate
  • Saccharin, calcium salt, hydrate
  • UNII-5101OP7P2I

Systematic Name

  • 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, calcium salt, hydrate (4:7)

Superlist Name

  • Calcium saccharin hydrate

Registry Numbers

CAS Registry Number

  • 6381-91-5

FDA UNII

  • 5101OP7P2I

System Generated Number

  • 0006381915

Molecular Formulas

Molecular Formulas

  • C14-H8-Ca-N2-O6-S2.5/2H2-O
  • C7-H5-N-O3-S
  • C7-H5-N-O3-S.1/2Ca.7/4H2-O

Molecular Formula Fragments

  • C14-H8-Ca-N2-O6-S2
  • Ca
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C7H5NO3S.Ca.7H2O/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;;;;;;/h2*1-4H,(H,8,9);;7*1H2/q;;+2;;;;;;;/p-2

InChIKey

NNOYLBKZPCUCQT-UHFFFAOYSA-L

Smiles

c1ccc2c(c1)C(=O)[N-]S2(=O)=O.c1ccc2c(c1)C(=O)[N-]S2(=O)=O.O.O.O.O.O.O.O.[Ca+2]