| CAS Number | 184674-99-5 |
| Catalog Number | AG01ENP9(AGN-PC-0QDHXB) |
| Chemical Name | Robalzotan (hydrochloride) |
| IUPAC Name | (3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride |
| InChI | InChI=1S/C18H23FN2O2.ClH/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12;/h7-8,11-13H,1-6,9-10H2,(H2,20,22);1H/t13-;/m1./s1 |
| InChI Key | GSZJANKLCPHEEX-BTQNPOSSSA-N |
| MDL Number | MFCD00270075 |
| Molecular Formula | C18H24ClFN2O2 |
| Molecular Weight | 354.8468 |
| SMILES | C1OC2=C(F)C=CC(C(N)=O)=C2C[C@H]1N(C1CCC1)C1CCC1.[H]Cl |
| Synonyms | NAD 299 hydrochloride,
184674-99-5,
NAD 299 HCl,
nad299 hydrochloride,
AKOS024457523,
(3R)-3-(Dicyclobutylamino)-8-fluoro-3,4-dihydro-2H-1-benzopyran-5-carboxamidehydrochloride,
(3R)-3-(Dicyclobutylamino)-8-fluoro-3,4-dihydro-2H-1-benzopyran-5-carboxamide hydrochloride,
|
| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.151034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.8g/mol |
| Monoisotopic Mass | 354.151034g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number