| CAS Number | 1338545-07-5 |
| Catalog Number | AG009CJI |
| Chemical Name | OTS964 |
| IUPAC Name | 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride |
| InChI | InChI=1S/C23H24N2O2S.ClH/c1-13-11-18(26)19(16-7-5-15(6-8-16)14(2)12-25(3)4)20-17-9-10-28-22(17)23(27)24-21(13)20;/h5-11,14,26H,12H2,1-4H3,(H,24,27);1H/t14-;/m0./s1 |
| InChI Key | YHPWOYBWUWSJDW-UQKRIMTDSA-N |
| MDL Number | MFCD28386220 |
| Molecular Formula | C23H25ClN2O2S |
| Molecular Weight | 428.9748 |
| SMILES | Cl.CN(C[C@H](C)C1=CC=C(C=C1)C=1C=2C3=C(C(NC2C(=CC1O)C)=O)SC=C3)C |
| Synonyms | OTS-964,
1338545-07-5,
SCHEMBL15092325,
KS-00000TSZ,
BCP28759,
EX-A1467,
CS-5121,
AC-29895,
HY-12467,
(R)-9-(4-(1-(dimethylamino)propan-2-yl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one hydrochloride,
OTS964,
ACN-037540,
|
| Complexity | 563 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 428.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 428.975g/mol |
| Monoisotopic Mass | 428.133g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number