SODIUM N-CYCLOHEXYL-N-PALMITOYL TAURATE
General Information
| Mainterm | SODIUM N-CYCLOHEXYL-N-PALMITOYL TAURATE |
| CAS Reg.No.(or other ID) | 132-43-4 |
| Regnum |
178.1010 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 23707500 |
| IUPAC Name | sodium;2-[cyclohexyl(hexadecanoyl)amino]ethanesulfonate |
| InChI | InChI=1S/C24H47NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(26)25(21-22-30(27,28)29)23-18-15-14-16-19-23;/h23H,2-22H2,1H3,(H,27,28,29);/q;+1/p-1 |
| InChI Key | VOXBATAAGDVURT-UHFFFAOYSA-M |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C1CCCCC1.[Na+] |
| Molecular Formula | C24H46NNaO4S |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 467.685 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 18 |
| Complexity | 530.0 |
| CACTVS Substructure Key Fingerprint | A A A D c f B 6 O C B A A A A A A A A A A A A A A A A A A A A A A A A w A A A A A A A A A A A A A A A A H g Q A A A A A C C j F w A S C A A M A A A I I A A E Q E H B A A A A A A A A A A A E I A A A A A B I A g A A E A A A A B g C A A A E Y i I C 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 | 85.9 |
| Monoisotopic Mass | 467.305 |
| Exact Mass | 467.305 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| 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 | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty amides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-acyl amines |
| Alternative Parents | |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | N-acyl-amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic alkali metal salt - Carbonyl group - Organic nitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic cation - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. |
From ClassyFire