| CAS Number | 18683-73-3 |
| Catalog Number | AG01E3H6(AGN-PC-0WOZJX) |
| Chemical Name | Chlorpromazine Sulfone Hydrochloride |
| IUPAC Name | 3-(2-chloro-5,5-dioxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride |
| InChI | InChI=1S/C17H19ClN2O2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)23(21,22)17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H |
| InChI Key | IANTWWZPQFMOTD-UHFFFAOYSA-N |
| MDL Number | MFCD20726070 |
| Molecular Formula | C17H20Cl2N2O2S |
| Molecular Weight | 387.3239 |
| SMILES | Cl.CN(C)CCCN1c2ccccc2S(=O)(=O)c3ccc(Cl)cc13 |
| Synonyms | Chlorpromazine Sulfone Hydrochloride,
18683-73-3,
3-(2-chloro-5,5-dioxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride,
IANTWWZPQFMOTD-UHFFFAOYSA-N,
|
| Complexity | 505 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 387.319g/mol |
| Monoisotopic Mass | 386.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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