Chlorprothixene Hydrochloride
Basic information
- CAS
2461-06-5- Standard SMILES
CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21.Cl- InChIKey
YWKRLOSRDGPEJR-KIUKIJHYSA-N- Molecular formula
- C18H19Cl2NS
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 351.0615262
Names & identifiers
- Preferred name
- Chlorprothixene Hydrochloride
- IUPAC
- (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
Names & synonyms
Chlorprothixene hydrochloride6469-93-8MinithixenTruxal hydrochlorideChlorprothixene HClcis-Chlorprothixene hydrochloride(Z)-Chlorprothixene hydrochlorideEINECS 229-289-3NSC 56379NSC 78193NSC 169899268KCR965N
Show more names
(Z)-2-Chloro-9-(3-dimethylaminopropylidene)thioxanthene hydrochlorideDTXSID701017267Chlorprothixene hydrochloride (JAN)cis-2-Chloro-9-(3-(dimethylamino)propylidene)thioxanthene, hydrochlorideThioxanthene, 2-chloro-9-(3-(dimethylamino)propylidene)-, hydrochloride, (Z)-1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, hydrochloride, (Z)-CHLORPROTHIXENE HYDROCHLORIDE [MI]CHLORPROTHIXENE HYDROCHLORIDE [JAN]
Database identifiers
- CAS
2461-06-5、6469-93-8- PubChem CID
- 5282478
- DTXSID
DTXSID701017267- ChEMBL
CHEMBL1256658- UNII
- 268KCR965N
- EC Number
- 229-289-3
Properties
Computed structural properties
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Experimental & physicochemical properties
Collision Cross Section169.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Other Safety InformationIMAP assessments - 1-Propanamine, 3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, hydrochloride, (Z)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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