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U111

(−)-trans-(1S,2S)-U-50488 hydrochloride hydrate

≥98% (HPLC), κ opioid receptor agonist, solid

Synonym(s):

trans-(1S,2S)-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamide hydrochloride hydrate

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About This Item

Empirical Formula (Hill Notation):
C19H26Cl2N2O · HCl · xH2O
CAS Number:
114528-79-9
Molecular Weight:
405.79 (anhydrous basis)
UNSPSC Code:
12352200
PubChem Substance ID:
24278019
NACRES:
NA.77
MDL number:
MFCD11044455
Assay:
≥98% (HPLC)
Form:
solid
Storage condition:
desiccated
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Product Name

(−)-trans-(1S,2S)-U-50488 hydrochloride hydrate, solid, ≥98% (HPLC)

Quality Segment

100

assay

≥98% (HPLC)

form

solid

optical activity

[α]22/D -39.0 to -32.0°, c = 0.5 in methanol(lit.)

storage condition

desiccated

color

white

solubility

H2O: 13 mg/mL

storage temp.

2-8°C

SMILES string

O.Cl.CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)Cc3ccc(Cl)c(Cl)c3

InChI

1S/C19H26Cl2N2O.ClH.H2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;;/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H;1H2/t17-,18-;;/m0../s1

InChI key

UWPRPWMHQDPOFR-MPGISEFESA-N

Gene Information

human ... OPRK1(4986)

Application

(−)-trans-(1S,2S)-U-50488 hydrochloride hydrate (U-50488) has been used as a κ-opioid receptor (KOR) agonist has been used to study its effect on the increase of tidal volumes in adult red-eared slider turtles (Trachemys scripta).

Biochem/physiol Actions

Potent κ opioid receptor agonist; more potent enantiomer of (±)-trans-U-50488.

Preparation Note

(−)-trans-(1S,2S)-U-50488 hydrochloride hydrate is soluble in water at 13 mg/ml.

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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