InChI
1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
SMILES string
CN1CCC(CC1)(C(OCC)=O)C2=CC=CC=C2
InChI key
XADCESSVHJOZHK-UHFFFAOYSA-N
grade
drug standard
drug control
kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada
availability
not available in Japan
concentration
1 mg/mL in methanol
application(s)
pharmaceutical (small molecule)
storage temp.
−20°C
Gene Information
human ... OPRD1(4985), OPRK1(4986), OPRM1(4988)
rat ... Oprm1(25601), Slc6a3(24898), Slc6a4(25553)
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signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1
target_organs
Eyes,Central nervous system
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
51.8 °F - closed cup
flash_point_c
11 °C - closed cup
法规信息
新产品
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HERG attracts attention as a risk factor for arrhythmia, which might trigger torsade de pointes. A highly accurate classifier of chemical compounds for inhibition of the HERG potassium channel is constructed using support vector machine. For two test sets, our
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