| CAS Number | 1782573-67-4 |
| Catalog Number | AG01EO72(AGN-PC-3H468H) |
| Chemical Name | RU-SKI 43 hydrochloride |
| IUPAC Name | 2-(2-methylbutylamino)-1-[4-[(3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride |
| InChI | InChI=1S/C22H30N2O2S.ClH/c1-4-16(2)13-23-14-22(25)24-10-8-21-19(9-11-27-21)20(24)15-26-18-7-5-6-17(3)12-18;/h5-7,9,11-12,16,20,23H,4,8,10,13-15H2,1-3H3;1H |
| InChI Key | JBBKLHJLHRGJSQ-UHFFFAOYSA-N |
| MDL Number | MFCD31619294 |
| Molecular Formula | C22H31ClN2O2S |
| Molecular Weight | 423.0117 |
| SMILES | CC1=CC=CC(OCC2C(C=CS3)=C3CCN2C(CNCC(C)CC)=O)=C1.Cl |
| Synonyms | RU-SKI 43 hydrochloride,
RU-SKI 43 (hydrochloride),
1043797-53-0,
1782573-67-4,
4018AH,
HY-18366A,
AKOS024458399,
CS-3457,
2-((2-Methylbutyl)amino)-1-(4-((3-methylphenoxy)methyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanone hydrochloride,
2-(2-methylbutylamino)-1-(4-(m-tolyloxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanone hydrochloride,
C22H30N2O2S.ClH,
RU-SKI 43,
N.A.,
|
| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 422.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 423.012g/mol |
| Monoisotopic Mass | 422.179g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 69.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number