| CAS Number | 60113-77-1 |
| Catalog Number | AG003ARL(AGN-PC-0WAEZY) |
| Chemical Name | 10H-Phenothiazine-10-ethanamine,N,α-dimethyl-,hydrochloride (1:1) |
| IUPAC Name | N-methyl-1-phenothiazin-10-ylpropan-2-amine;hydrochloride |
| InChI | InChI=1S/C16H18N2S.ClH/c1-12(17-2)11-18-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18;/h3-10,12,17H,11H2,1-2H3;1H |
| InChI Key | DJGGTRGRXVNMMY-UHFFFAOYSA-N |
| MDL Number | MFCD18379322 |
| Molecular Formula | C16H19ClN2S |
| Molecular Weight | 306.8535 |
| SMILES | Cl.CNC(C)CN1c2ccccc2Sc3ccccc13 |
| Synonyms | 60113-77-1,
rac N-Demethyl Promethazine Hydrochloride,
Norpromethazine Hydrochloride,
Promethazine Impurity C HCl,
DTXSID50747473,
Nor1-Promethazine Monohydrochloride,
FT-0665735,
N-methyl-1-phenothiazin-10-ylpropan-2-amine;hydrochloride,
N,|A-Dimethyl-10H-phenothiazine-10-ethanamine Hydrochloride,
10H-Phenothiazine-10-ethanamine,N,alpha-dimethyl-,hydrochloride (1:1),
N-Methyl-1-(10H-phenothiazin-10-yl)propan-2-amine--hydrogen chloride (1/1),
(2RS)-N-Methyl-1-(10H-phenothiazin-10-yl)propan-2-amine Hydrochloride (Norpromethazine Hydrochloride),
rac N-Demethyl Promethazine,
Promethazine EP Impurity C,
DJGGTRGRXVNMMY-UHFFFAOYSA-N,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.852g/mol |
| Monoisotopic Mass | 306.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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