| CAS Number | 328087-38-3 |
| Catalog Number | AG00CNAQ(AGN-PC-0R872Q) |
| Chemical Name | Phortress |
| IUPAC Name | (2S)-2,6-diamino-N-[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;dihydrochloride |
| InChI | InChI=1S/C20H23FN4OS.2ClH/c1-12-10-13(20-25-17-11-14(21)6-8-18(17)27-20)5-7-16(12)24-19(26)15(23)4-2-3-9-22;;/h5-8,10-11,15H,2-4,9,22-23H2,1H3,(H,24,26);2*1H/t15-;;/m0../s1 |
| InChI Key | QZSMNTOCJVVFEU-CKUXDGONSA-N |
| MDL Number | MFCD06407804 |
| Molecular Formula | C20H25Cl2FN4OS |
| Molecular Weight | 459.4081 |
| SMILES | Cl.Cl.N[C@H](C(=O)NC1=C(C=C(C=C1)C=1SC2=C(N1)C=C(C=C2)F)C)CCCCN |
| UNII | AXR52N9SMF |
| Synonyms | Phortress,
Phortress,
328087-38-3,
NSC-710305,
UNII-AXR52N9SMF,
AXR52N9SMF,
CHEMBL1793884,
KS-00002WTE,
AKOS024458457,
SB17197,
(2S)-2,6-Diamino-N-[4-(5-fluoro-2-benzothiazolyl)-2-methylphenyl]hexanamide dihydrochloride,
CID9804228,
GS-1302,
C492651,
2,6-diamino-N-[4-(5-fluorobenzothiazol-2-yl)-2-methyl-phenyl]hexanamide Dihydrochloride,
|
| Complexity | 497 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 458.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 459.405g/mol |
| Monoisotopic Mass | 458.111g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number