| CAS Number | 1357476-46-0 |
| Catalog Number | AG01EO05(AGN-PC-3H464O) |
| Chemical Name | S107 hydrochloride |
| IUPAC Name | 7-methoxy-4-methyl-3,5-dihydro-2H-1,4-benzothiazepine;hydrochloride |
| InChI | InChI=1S/C11H15NOS.ClH/c1-12-5-6-14-11-4-3-10(13-2)7-9(11)8-12;/h3-4,7H,5-6,8H2,1-2H3;1H |
| InChI Key | PKLKSAHANRLKJK-UHFFFAOYSA-N |
| MDL Number | MFCD18086903 |
| Molecular Formula | C11H16ClNOS |
| Molecular Weight | 245.7688 |
| SMILES | Cl.COC=1C=CC2=C(CN(CCS2)C)C1 |
| Synonyms | S107 hydrochloride,
S107 HCl,
1357476-46-0,
CHEMBL2440855,
HY-15292A,
CS-0045134,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.765g/mol |
| Monoisotopic Mass | 245.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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