| CAS Number | 1052538-07-4 |
| Catalog Number | AG01AR17(AGN-PC-0WCNDH) |
| Chemical Name | 3-[1-(2-Thienyl)-3,4-dihydroisoquinolin-2(1H)-yl]propanoic acid hydrochloride |
| IUPAC Name | 3-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C16H17NO2S.ClH/c18-15(19)8-10-17-9-7-12-4-1-2-5-13(12)16(17)14-6-3-11-20-14;/h1-6,11,16H,7-10H2,(H,18,19);1H |
| InChI Key | YBBPGOHNFUZULD-UHFFFAOYSA-N |
| MDL Number | MFCD06202334 |
| Molecular Formula | C16H18ClNO2S |
| Molecular Weight | 323.8376 |
| SMILES | O=C(O)CCN1CCC2=CC=CC=C2C1C3=CC=CS3.Cl |
| Synonyms | 3-[1-(2-Thienyl)-3,4-dihydroisoquinolin-2(1H)-yl]propanoic acid hydrochloride,
1052538-07-4,
MLS000685995,
CHEMBL1541094,
AKOS026676862,
MCULE-9284938546,
SMR000324853,
L-3524,
SR-01000019090,
SR-01000019090-1,
F1926-0047,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.835g/mol |
| Monoisotopic Mass | 323.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number