| CAS Number | 3953-65-9 |
| Catalog Number | AG00C9JP(AGN-PC-0RJZTO) |
| Chemical Name | Demethyl chlorpromazine hydrochloride |
| IUPAC Name | 3-(2-chlorophenothiazin-10-yl)-N-methylpropan-1-amine;hydrochloride |
| InChI | InChI=1S/C16H17ClN2S.ClH/c1-18-9-4-10-19-13-5-2-3-6-15(13)20-16-8-7-12(17)11-14(16)19;/h2-3,5-8,11,18H,4,9-10H2,1H3;1H |
| InChI Key | HDISSMQVJRSCEK-UHFFFAOYSA-N |
| MDL Number | MFCD01310588 |
| Molecular Formula | C16H18Cl2N2S |
| Molecular Weight | 341.2985 |
| SMILES | Cl.CNCCCN1c2ccccc2Sc3ccc(Cl)cc13 |
| Synonyms | Demethyl Chlorpromazine Hydrochloride,
3953-65-9,
Desmethylchlorpromazine Hydrochloride,
3-(2-chlorophenothiazin-10-yl)-N-methylpropan-1-amine;hydrochloride,
AC1LAUX0,
SCHEMBL10937978,
SKF 4514A,
Phenothiazine, 2-chloro-10-[3-(methylamino)propyl]-, hydrochloride,
ACM3953659,
Mono-N-demethylchlorpromazine Hydrochloride,
Mono-N-demethylchloropromazine Hydrochloride,
FT-0665693,
2-Chloro-10-(3-methylaminopropyl)phenothiazine Hydrochloride,
2-Chloro-N-methyl-10H-phenothiazine-10-propanamine Hydrochloride,
3-(2-chlorophenothiazin-10-yl)-N-methylpropan-1-amine hydrochloride,
Desmethylchlorpromazine Hydrochloride 1.0 mg/ml in Methanol (as free base),
3-(2-Chloro-10H-phenothiazin-10-yl)-N-methylpropan-1-amine Hydrochloride (Desmethylchlorpromazine Hydrochloride),
CID520950,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.294g/mol |
| Monoisotopic Mass | 340.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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