| CAS Number | 1956426-56-4 |
| Catalog Number | AG00ABKI |
| Chemical Name | KN93 hydrochloride |
| IUPAC Name | N-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C26H29ClN2O4S.ClH/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25;/h3-16,30H,17-20H2,1-2H3;1H/b6-5+; |
| InChI Key | ATHMCQDBXQEIOK-IPZCTEOASA-N |
| MDL Number | MFCD27992054 |
| Molecular Formula | C26H30Cl2N2O4S |
| Molecular Weight | 537.4984 |
| SMILES | CN(CC1=CC=CC=C1N(CCO)S(=O)(C2=CC=C(C=C2)OC)=O)C/C=C/C3=CC=C(C=C3)Cl.Cl |
| Synonyms | KN-93 hydrochloride,
KN-93 (hydrochloride),
1956426-56-4,
KN93 hydrochloride,
KN93-HCL,
C26H29ClN2O4S.ClH,
KN-93 (HCI),
BCP25921,
3765AH,
FD5003,
HY-15465A,
CS-1561,
139298-40-1,
|
| Complexity | 713 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 536.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 537.496g/mol |
| Monoisotopic Mass | 536.13g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 78.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number