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Merck

O111

Octoclothepin maleate salt

solid

Synonym(s):

1-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-piperazine maleate salt

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About This Item

Empirical Formula (Hill Notation):
C19H21ClN2S · C4H4O4
CAS Number:
4789-68-8
Molecular Weight:
460.97
NACRES:
NA.77
PubChem Substance ID:
24277921
UNSPSC Code:
12352200
MDL number:
MFCD00153855
Form:
solid
Quality level:
200

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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-

SMILES string

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

InChI key

GWKBZIADWSOIQV-BTJKTKAUSA-N

form

solid

color

white

solubility

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

Quality Level

200

Gene Information

human ... DRD2(1813), HTR2A(3356), HTR2B(3357), HTR2C(3358)

Biochem/physiol Actions

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

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
068H4732V

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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
Veronika Bezold et al.
Aging, 11(14), 5258-5275 (2019-08-07)
Glycation and the accumulation of advanced glycation end products (AGEs) are known to occur during normal aging but also in the progression of several diseases, such as diabetes. Diabetes type II and aging both lead to impaired wound healing. It
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
T Liljefors et al.
Journal of medicinal chemistry, 31(2), 306-312 (1988-02-01)
Conformational analysis with molecular mechanics (MM2(85] and molecular superimposition studies of (1R,3S)-(+)- and (1S,3R)-(-)-4-[3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-yl]-1- piperazineethanol (tefludazine) and (S)-(+)- and (R)-(-)-octoclothepin have been employed to identify biologically active conformations of these compounds with respect to dopamine receptor antagonism and amine-uptake inhibition.
Da Hyun Kim et al.
Journal of dairy science, 102(9), 7707-7716 (2019-07-22)
Maillard reaction products formed from whey protein isolate (WPI) and sugar have been shown to have an anti-inflammatory effect in vitro. Here, we incubated WPI and galactose (GWA) in an aqueous solution at 65°C for 24 h to produce a
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Global Trade Item Number

SKUGTIN
LPS2504053252324598

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