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O111

Sigma-Aldrich

Octoclothepin maleate salt

solid

Synonym(s):
1-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-piperazine maleate salt
Empirical Formula (Hill Notation):
C19H21ClN2S · C4H4O4
CAS Number:
Molecular Weight:
460.97
MDL number:
PubChem Substance ID:
NACRES:
NA.77

Quality Level

form

solid

color

white

solubility

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: >21 mg/mL

SMILES string

[H]\C(=C(/[H])C(O)=O)C(O)=O.CN1CCN(CC1)C2Cc3ccccc3Sc4ccc(Cl)cc24

InChI

1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChI key

GWKBZIADWSOIQV-BTJKTKAUSA-N

Gene Information

Packaging

25 mg in poly bottle

Biochem/physiol Actions

D2 dopamine receptor antagonist; 5-HT2 serotonin receptor antagonist.

Pictograms

Skull and crossbones

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

6.1D - Non-combustible, acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

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More Documents

Quotes and Ordering

Min Chen et al.
Food & function, 10(8), 5080-5090 (2019-07-31)
Acanthopanax trifoliatus (L.) Merr., an edible medicinal plant from Southeast Asia, exerts a wide range of bioactivities, such as anti-inflammatory activity. However, the anti-inflammatory mechanisms of its action and active constituents remain unclear. Herein, the effects of two triterpenoids, namely
B G Tehan et al.
Journal of molecular graphics & modelling, 19(5), 417-426 (2001-09-13)
In an attempt to elucidate some aspects of clozapine's favorable receptor binding profile, we modeled a series of 30 clozapine analogs using a pharmacophore based on the ligands octoclothepin and tefludazine. Molecular field analysis using CoMFA combined with HINT was
Tetsuji Aoyagi et al.
Shock (Augusta, Ga.), 52(1), 83-91 (2018-07-22)
Excessive inflammation reactions with a cytokine storm in the lungs have historically been thought as the primary cause of fatal acute respiratory distress syndrome (ARDS). However, interruption of inflammatory cytokine activation failed to attenuate ARDS, suggesting that other therapies are
K P Bøgesø et al.
Journal of medicinal chemistry, 34(7), 2023-2030 (1991-07-01)
Octoclothepin (1) was resolved into its R and S enantiomers via the diastereomeric tartaric acid salts. The enantiomers were shown to be of high optical purity by 1H NMR with use of the chiral shift reagent (R)-(-)-2,2,2-trifluoro-1-(9-anthryl)ethanol. Pharmacological and biochemical
Rune Risgaard et al.
Nuclear medicine and biology, 40(1), 135-140 (2012-11-21)
Cerebral α₁-adrenoceptors are a common target for many antipsychotic drugs. Thus, access to positron emission tomography (PET) brain imaging of α₁-adrenoceptors could make important contributions to the understanding of psychotic disorders as well as to the pharmacokinetics and occupancy of

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