N-N-BIS(beta-CHLOROETHYL)-p-TOLUENESULFONAMIDE
PubChem CID: 14165820
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| Compound Synonyms | 7a-Hydroxy-4(15),11(13)-eudesmadien-12-al, N-N-BIS(beta-CHLOROETHYL)-p-TOLUENESULFONAMIDE |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Description | Phytoalexin from Ipomoea batatas (sweet potato). 7-Hydroxycostal is found in sweet potato, root vegetables, and potato. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-hydroxy-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl)prop-2-enal |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 3.0 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H22O2 |
| Inchi Key | VRDBEJGMTYROKE-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | (+)-7-Hydroxycostal, 7-Hydroxycostal, 7a-Hydroxy-4(15),11(13)-eudesmadien-12-al, N-n-bis(beta-chloroethyl)-p-toluenesulfonamide, N,N-Bis(2-chloroethyl)-p-toluenesulfonamide, N,N-Bis(2-chloroethyl)-p-toluenesulphonamide, N,N-Bis(2-chloroethyl)-P-toluenesulfonamide, N,N-Bis(2-chloroethyl)-P-toluenesulphonamide, N-N-Bis(beta-chloroethyl)-P-toluenesulfonamide |
| Compound Name | N-N-BIS(beta-CHLOROETHYL)-p-TOLUENESULFONAMIDE |
| Kingdom | Organic compounds |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C15H22O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h10,13,17H,1-2,4-9H2,3H3 |
| Smiles | CC12CCCC(=C)C1CC(CC2)(C(=C)C=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Batatas (Plant) Rel Props:Source_db:fooddb_chem_all