| CAS Number | 1217201-17-6 |
| Catalog Number | AG00A656(AGN-PC-0WP0MX) |
| Chemical Name | A-350619 (hydrochloride) |
| IUPAC Name | (E)-3-[2-(4-chlorophenyl)sulfanylphenyl]-N-[4-(dimethylamino)butyl]prop-2-enamide;hydrochloride |
| InChI | InChI=1S/C21H25ClN2OS.ClH/c1-24(2)16-6-5-15-23-21(25)14-9-17-7-3-4-8-20(17)26-19-12-10-18(22)11-13-19;/h3-4,7-14H,5-6,15-16H2,1-2H3,(H,23,25);1H/b14-9+; |
| InChI Key | PDVBHWZPRQFKJS-KYIGKLDSSA-N |
| MDL Number | MFCD09971131 |
| Molecular Formula | C21H26Cl2N2OS |
| Molecular Weight | 425.4149 |
| SMILES | Cl.O=C(NCCCCN(C)C)/C=C/C1=C(SC2C=CC(Cl)=CC=2)C=CC=C1 |
| Synonyms | A 350619 hydrochloride,
1217201-17-6,
538368-27-3,
AKOS024457277,
RTX-013037,
3-[2-(4-CHLOROPHENYLTHIO)PHENYL]-N-(4-DIMETHYLAMINOBUTYL)ACRYLAMIDE,
3-[2-[(4-Chlorophenyl)thiophenyl]-N-[4-(dimethylamino)butyl]-2-propenamide hydrochloride,
3-[2-[(4-CHLOROPHENYL)THIOPHENYL]-N-[4-(DIMETHYLAMINO)BUTYL]-2-PROPENAMIDEHCL,
UNII-2W6T5I5964,
PDVBHWZPRQFKJS-KYIGKLDSSA-N,
A350619,
A 350619,
A-350619,
2-Propenamide, 3-(2-((4-chlorophenyl)thio)phenyl)-N-(4-(dimethylamino)butyl)-,
3-[2-(4-CHLOROPHENYL)THIOPHENYL]-N-[4-(DIMETHYLAMINO)BUTYL]-2-PROPENAMIDE HYDROCHLORIDE,
|
| Complexity | 436 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 424.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 425.412g/mol |
| Monoisotopic Mass | 424.114g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number