| CAS Number | 1216468-02-8 |
| Catalog Number | AG01ENQB(AGN-PC-3H4623) |
| Chemical Name | SB-258585 hydrochloride |
| IUPAC Name | 4-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C18H22IN3O3S.ClH/c1-21-9-11-22(12-10-21)17-13-15(5-8-18(17)25-2)20-26(23,24)16-6-3-14(19)4-7-16;/h3-8,13,20H,9-12H2,1-2H3;1H |
| InChI Key | BFGOZFXMAJBFGI-UHFFFAOYSA-N |
| MDL Number | MFCD06798382 |
| Molecular Formula | C18H23ClIN3O3S |
| Molecular Weight | 523.8160 |
| SMILES | Cl.IC1=CC=C(C=C1)S(=O)(=O)NC1=CC(=C(C=C1)OC)N1CCN(CC1)C |
| Synonyms | SB 258585 hydrochloride,
1216468-02-8,
209480-63-7,
4-IODO-N-[4-METHOXY-3-(4-METHYL-1-PIPERAZINYL)PHENYL]BENZENESULFONAMIDE HYDROCHLORIDE,
SB 258585 HCl,
SB 258585 (hydrochloride),
CTK8E8912,
AKOS024456879,
ACM209480637,
RT-015647,
A14026,
SR-01000597784,
J-013734,
SR-01000597784-1,
4-Iodo-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]benzenesulfonamidehydrochloride,
4-IODO-N-[4-METHOXY-3- PHENYL]BENZENESULFONAMIDEHYDROCHLORIDE,
|
| Complexity | 540 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 523.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 523.814g/mol |
| Monoisotopic Mass | 523.019g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number