| CAS Number | 1338540-63-8 |
| Catalog Number | AG003ANM(AGN-PC-0WGGQ6) |
| Chemical Name | 9-[4-[(1R)-2-Amino-1-methylethyl]phenyl]-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one |
| IUPAC Name | 9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one |
| InChI | InChI=1S/C21H20N2O2S/c1-11-9-16(24)17(14-5-3-13(4-6-14)12(2)10-22)18-15-7-8-26-20(15)21(25)23-19(11)18/h3-9,12,24H,10,22H2,1-2H3,(H,23,25)/t12-/m0/s1 |
| InChI Key | OETLNMOJNONWOY-LBPRGKRZSA-N |
| MDL Number | MFCD29924710 |
| Molecular Formula | C21H20N2O2S |
| Molecular Weight | 364.4607 |
| SMILES | NC[C@H](C)C1=CC=C(C=C1)C=1C=2C3=C(C(NC2C(=CC1O)C)=O)SC=C3 |
| Synonyms | 9-(4-(1-(dimethylamino)propan-2-yl)phenyl)-8-hydroxy-6-methylthieno(2,3-c)quinolin-4(5H)-one,
OTS514,
OTS514,
(R)-9-(4-(1-aminopropan-2-yl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one,
1338540-63-8,
SCHEMBL2549909,
CHEMBL3672295,
OETLNMOJNONWOY-LBPRGKRZSA-N,
BCP23870,
BCP28892,
EX-A1466,
ZINC72317440,
AKOS030526419,
CS-5047,
HY-18621,
OTS514 hydrochloride,
OTS-514,
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| Complexity | 522 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.463g/mol |
| Monoisotopic Mass | 364.125g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number