| CAS Number | 1353858-99-7 |
| Catalog Number | AG009CAP(AGN-PC-0WNRHG) |
| Chemical Name | CX 6258 hydrochloride hydrate |
| IUPAC Name | (3E)-5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one;hydrate;hydrochloride |
| InChI | InChI=1S/C26H24ClN3O3.ClH.H2O/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31;;/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31);1H;1H2/b22-16+;; |
| InChI Key | ZOZTWDKBSOVPDP-LLDDCTHSSA-N |
| MDL Number | MFCD26142938 |
| Molecular Formula | C26H27Cl2N3O4 |
| Molecular Weight | 516.4163 |
| SMILES | O=C1/C(=C/C2OC(C3C=C(C(=O)N4CCN(C)CCC4)C=CC=3)=CC=2)/C2C(=CC=C(C=2)Cl)N1.[H]Cl.O |
| Synonyms | CX-6258 (hydrochloride hydrate),
CX-6258 hydrochloride hydrate,
1353858-99-7,
C26H24ClN3O3.ClH.H2O,
2121AH,
HY-18095A,
AKOS030526443,
CS-1530,
W-6143,
(E)-5-Chloro-3-((5-(3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl)furan-2-yl)methylene)indolin-2-one hydrochloride hydrate,
|
| Complexity | 774 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 515.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 516.419g/mol |
| Monoisotopic Mass | 515.138g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number