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G133

GR 89696 fumarate salt

solid

Synonym(s):

4-[(3,4-Dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester fumarate salt

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About This Item

Empirical Formula (Hill Notation):
C19H25Cl2N3O3 · C4H4O4
CAS Number:
126766-32-3
Molecular Weight:
530.40
NACRES:
NA.77
PubChem Substance ID:
24278038
UNSPSC Code:
12352200
MDL number:
MFCD00274044
Form:
solid
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form

solid

Quality Segment

100

color

off-white

solubility

ethanol: 4.0 mg/mL, DMSO: >50 mg/mL, H2O: 8.5 mg/mL

SMILES string

OC(=O)\C=C\C(O)=O.COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc3ccc(Cl)c(Cl)c3

InChI

1S/C19H25Cl2N3O3.C4H4O4/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14;5-3(6)1-2-4(7)8/h4-5,10,15H,2-3,6-9,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChI key

ABTNETSDXZBJTE-WLHGVMLRSA-N

Gene Information

human ... OPRK1(4986)

Application

GR 89696 fumarate salt has been used as a κ κ2 opioid receptor (KOR) agonist to study its anti-scratching and antipruritic effects on monkeys.

Biochem/physiol Actions

GR 89696 fumarate is a selective κ2 opioid receptor agonist.

Legal Information

Sold for research purposes under agreement from Glaxo­Smith­Kline

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

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