| CAS Number | 1652591-81-5 |
| Catalog Number | AG00ASED |
| Chemical Name | GSK484 HCl |
| IUPAC Name | [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;hydrochloride |
| InChI | InChI=1S/C27H31N5O3.ClH/c1-30-25-20(11-18(13-24(25)35-2)27(34)31-10-9-23(33)19(28)15-31)29-26(30)22-12-17-5-3-4-6-21(17)32(22)14-16-7-8-16;/h3-6,11-13,16,19,23,33H,7-10,14-15,28H2,1-2H3;1H/t19-,23+;/m0./s1 |
| InChI Key | MULKOGJHUZTANI-ADMBKAPUSA-N |
| MDL Number | MFCD30343874 |
| Molecular Formula | C27H32ClN5O3 |
| Molecular Weight | 510.0277 |
| SMILES | Cn1c2c(cc(cc2OC)C(=O)N3CC[C@H]([C@H](C3)N)O)nc1c4cc5ccccc5n4CC6CC6.Cl |
| Synonyms | GSK484,
1652591-81-5,
((3S,4R)-3-Amino-4-hydroxypiperidin-1-yl)(2-(1-(cyclopropylmethyl)-1H-indol-2-yl)-7-methoxy-1-methyl-1H-benzo[d]imidazol-5-yl)methanone hydrochloride,
AOB6992,
EX-A2392,
AS-16989,
GSK484, >=98% (HPLC),
HY-100514,
CS-0019653,
MULKOGJHUZTANI-ADMBKAPUSA-N,
|
| Complexity | 780 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 509.219g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 510.035g/mol |
| Monoisotopic Mass | 509.219g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 98.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number