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Cyclamic acid (calcium)

CAT: 0804-HY-W719824Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W719824Size:1 Each
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Description
Cyclamic acid (calcium) is a nonnutritive sweetener[1].
CAS Number
139-06-0
Product Name Alternative
Cyclohexylsulfamic acid (calcium) ; Cyclamate (calcium)
UNSPSC
12352211
Hazard Statement
H315-H319-H335
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
O=S(NC1CCCCC1)([O-])=O.[Ca+2].[1/2]
Molecular Formula
C6H13NO3S·1/2Ca
Molecular Weight
219.02
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501
References & Citations
[1]Ronald Skiff, et al. Sweetened composition. WO2023020949A1. 2023-02-23.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Calcium Cyclamate

See also: Sodium Cyclamate (related).

CAS Number139-06-0
PubChem CID8752
IUPAC Namecalcium bis(N-cyclohexylsulfamate)
Molecular FormulaC12H24CaN2O6S2
Molecular Weight396.5
Topological Polar Surface Area155
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity187
SMILES
C1CCC(CC1)NS(=O)(=O)[O-].C1CCC(CC1)NS(=O)(=O)[O-].[Ca+2]
InChI
InChI=1S/2C6H13NO3S.Ca/c2*8-11(9,10)7-6-4-2-1-3-5-6;/h2*6-7H,1-5H2,(H,8,9,10);/q;;+2/p-2
InChIKey
UKLJMHXGZUJRTL-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Calcium Cyclamate
CAS: 139-06-0
CID: 8752
Formula: C12H24CaN2O6S2
MW: 396.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass396.0701697
Monoisotopic Mass396.0701697
Topological Polar Surface Area155 Ų
Heavy Atom Count23
Formal Charge0
Complexity187
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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