MAGNESIUM CYCLAMATE--PROHIBITED
General Information
| Mainterm | MAGNESIUM CYCLAMATE--PROHIBITED |
| Doc Type | BAN |
| CAS Reg.No.(or other ID) | 7757-85-9 |
| Regnum |
189.135 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 76970195 |
| IUPAC Name | magnesium;N-cyclohexylsulfamate |
| InChI | InChI=1S/2C6H13NO3S.Mg/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 |
| InChI Key | NGCCIFJKNRLEGG-UHFFFAOYSA-L |
| Canonical SMILES | C1CCC(CC1)NS(=O)(=O)[O-].C1CCC(CC1)NS(=O)(=O)[O-].[Mg+2] |
| Molecular Formula | C12H24MgN2O6S2 |
| Wikipedia | magnesium cyclamate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 380.757 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Complexity | 187.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B z O A B g A C A A A A A A A A A A A A A A A A A A A A A w Y A A A A A A A A A A A A A A A H A A Q Q A A A C C j B A A Q A A A B A A A A A A A A A A D A A A A A A A A A A A I A A A A A A A A I A g A A A A A A A E A A A A A E Q A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 155.0 |
| Monoisotopic Mass | 380.093 |
| Exact Mass | 380.093 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Sulfamic acid derivatives |
| Subclass | Cyclamates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cyclamates |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Cyclamic_acid_derivative - Sulfuric acid monoamide - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic cation - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclamates. These are compounds containing a cyclohexylsulfamic acid moiety. |
From ClassyFire