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Chlorprothixene hydrochloride structure, CAS 6469-93-8

Chlorprothixene hydrochloride

CAS Number6469-93-8

SynonymsChlorprothixene hydrochloride

Molecular FormulaC18H19N1Cl2S1

Molecular Weight352.33

Purity98.00%

Density

Boiling Point461.8ºC at 760 mmHg

Melting Point221ºC

Flash Point

Appearancewhite powder

EINECS

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9032916 Purity: 98.00%
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Quality Control of [ 6469-93-8 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number6469-93-8
Catalog No.2A-9032916
Chinese Name盐酸氯普噻吨
SynonymsChlorprothixene hydrochloride
Molecular FormulaC18H19N1Cl2S1
Molecular Weight352.33
Purity98.00
Boiling Point461.8ºC at 760 mmHg
Melting Point221ºC
Appearancewhite powder
Water SolubilitySoluble in water and in alcohol, slightly soluble
Storage Condition2-8°C
PackagingIII
ApplicationChlorprothixene hydrochloride is a dopamine and histamine receptor antagonist, binding to human D1, D2, D3, D5 and H1 receptors with high affinity, with Ki of 18 nM, 2.96 nM, 4.56 nM, 9 nM and 3.75 nM
MDL NumberMFCD01941605
SMILESCN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21.Cl
InChIInChI=1S/C18H18ClNS.ClH/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;/h3-4,6-10,12H,5,11H2,1-2H3;1H/b14-7-;
InChI KeyYWKRLOSRDGPEJR-KIUKIJHYSA-N
Hazard Symbols6.1(b)
MSDSmsds/32916_1_6469_93_8.pdf
BioactivityChlorprothixene hydrochloride is a dopamine and histamine receptors antagonist with Kis of 18 nM, 2.96 nM, 4.56 nM, 9 nM and 3.75 nM for hD1, hD2, hD3, hD5 and hH1 receptors, respectively. Antipsychotic activity[1]. Related Catalog Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Signaling Pathways >> GPCR/G Protein >> Dopamine Receptor Signaling Pathways >> Neuronal Signaling >> Dopamine Receptor Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> Histamine Receptor Signaling Pathways >> Anti-infection >> Bacterial Target Human D1 Receptor:18 nM (Ki) Human D2 Receptor:2.96 nM (Ki) Human D3 Receptor:4.56 nM (Ki) Human D5 Receptor:9 nM (Ki) Human H1 Receptor:3.75 nM (Ki) In Vitro Chlorprothixene binds to 5-HT receptors with pKis of 8.3, 8.5, and 9.4 for 5-HT7, 5-HT6 and 5-HT2, respectively[2]. References [1]. Y von Coburg, et al. Potential utility of histamine H3 receptor antagonist pharmacophore in antipsychotics. Bioorg Med Chem Lett. 2009 Jan 15;19(2):538-42. [2]. B L Roth, et al. Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors. J Pharmacol Exp Ther. 1994 Mar;268(3):1403-10. Chemical & Physical Properties Boiling Point 461.8ºC at 760 mmHg Melting Point 221ºC Molecular Formula C18H19Cl2NS Molecular Weight 352.32100 Flash Point 233.1ºC Exact Mass 351.06200 PSA 28.54000 LogP 5.99000 InChIKey YWKRLOSRDGPEJR-KIUKIJHYSA-N SMILES CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21.Cl Storage condition 2-8°C Water Solubility Soluble in water and in alcohol, slightly soluble in methylene chloride.
Use ofChlorprothixene hydrochloride is a dopamine and histamine receptors antagonist with Kis of 18 nM, 2.96 nM, 4.56 nM, 9 nM and 3.75 nM for hD1, hD2, hD3, hD5 and hH1 receptors, respectively. Antipsychotic activity[1]. Properties Name 2-Chloro-9-(3-dimethylaminopropylidene)thioxanthene hydrochloride Synonym More Synonyms Chlorprothixene hydrochloride Biological Activity Description Chlorprothixene hydrochloride is a dopamine and histamine receptors antagonist with Kis of 18 nM, 2.96 nM, 4.56 nM, 9 nM and 3.75 nM for hD1, hD2, hD3, hD5 and hH1 receptors, respectively. Antipsychotic activity[1]. Related Catalog Signaling Pathways >> Immunology/Inflammation >> Histamine Receptor Signaling Pathways >> GPCR/G Protein >> Dopamine Receptor Signaling Pathways >> Neuronal Signaling >> Dopamine Receptor Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> Histamine Receptor Signaling Pathways >> Anti-infection >> Bacterial Human D1 Receptor:18 nM (Ki) Human D2 Receptor:2.96 nM (Ki) Human D3 Receptor:4.56 nM (Ki) Human D5 Receptor:9 nM (Ki) Human H1 Receptor:3.75 nM (Ki) In Vitro Chlorprothixene binds to 5-HT receptors with pKis of 8.3, 8.5, and 9.4 for 5-HT7, 5-HT6 and 5-HT2, respectively[2]. References [1]. Y von Coburg, et al. Potential utility of histamine H3 receptor antagonist pharmacophore in antipsychotics. Bioorg Med Chem Lett. 2009 Jan 15;19(2):538-42. [2]. B L Roth, et al. Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors. J Pharmacol Exp Ther. 1994 Mar;268(3):1403-10. Chemical & Physical Properties Exact Mass 351.06200 PSA 28.54000 LogP 5.99000 InChIKey YWKRLOSRDGPEJR-KIUKIJHYSA-N Water Solubility Soluble in water and in alcohol, slightly soluble in methylene chloride.
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (Chlorprothixene hydrochloride) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (Chlorprothixene hydrochloride) International air transport hazard regulations: Toxic solid, organic, n.o.s. (Chlorprothixene hydrochloride) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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