| CAS Number | 1415564-68-9 |
| Catalog Number | AG009CEU |
| Chemical Name | ST-836 (hydrochloride) |
| IUPAC Name | N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine;hydrochloride |
| InChI | InChI=1S/C23H34N4OS.ClH/c1-3-10-26(19-8-9-20-23(17-19)29-18-24-20)14-11-25-12-15-27(16-13-25)21-6-4-5-7-22(21)28-2;/h4-7,18-19H,3,8-17H2,1-2H3;1H |
| InChI Key | FQDNEMILQYIEIG-UHFFFAOYSA-N |
| MDL Number | MFCD22381186 |
| Molecular Formula | C23H35ClN4OS |
| Molecular Weight | 451.0682 |
| SMILES | [H]Cl.C12SC=NC=1CCC(N(CCC)CCN1CCN(C3C(OC)=CC=CC=3)CC1)C2 |
| Synonyms | ST-836 (hydrochloride),
ST-836 hydrochloride,
1415564-68-9,
C23H34N4OS.ClH,
DTXSID10735351,
3876AH,
HY-15238A,
AKOS030526505,
CS-0920,
ST 836 hydrochloride;ST836 hydrochloride,
W-5910,
N-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)-N-propyl-4,5,6,7-tetrahydrobenzo[D]thiazol-6-amine hydrochloride,
N-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine--hydrogen chloride (1/1),
|
| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 450.222g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 451.07g/mol |
| Monoisotopic Mass | 450.222g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 60.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number