| CAS Number | 890416-03-2 |
| Catalog Number | AG0087WA(AGN-PC-00ATMS) |
| Chemical Name | Aposcopolamine Hydrochloride Salt |
| IUPAC Name | (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 2-phenylprop-2-enoate;hydrochloride |
| InChI | InChI=1S/C17H19NO3.ClH/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2;/h3-7,12-16H,1,8-9H2,2H3;1H |
| InChI Key | QAVHVYYGPPOIEY-UHFFFAOYSA-N |
| MDL Number | MFCD09839942 |
| Molecular Formula | C17H20ClNO3 |
| Molecular Weight | 321.7986 |
| SMILES | Cl.CN1[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)C(=C)c4ccccc4 |
| Synonyms | Aposcopolamine Hydrochloride Salt,
890416-03-2,
Apohyoscine Hydrochloride,
Aposcopolamin Hydrochloride,
CTK8E8430,
DTXSID20675633,
See: A729000",
APOSCOPOLAMINE HYDROCHLORIDE,
AKOS030255245,
RT-011302,
FT-0662255,
Aposcopolamine Hydrochloride SaltSee: A729000,
9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl 2-phenylprop-2-enoate--hydrogen chloride (1/1),
QAVHVYYGPPOIEY-UHFFFAOYSA-N,
|A-Methylenebenzeneacetic Acid (1|A,2|A,4|A,5|A,7|A)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl Ester Hydrochloride,
|
| Complexity | 439 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.801g/mol |
| Monoisotopic Mass | 321.113g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number