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About This Item
Empirical Formula (Hill Notation):
C8H13NO2 · HBr
CAS Number:
Molecular Weight:
236.11
UNSPSC Code:
12352100
Beilstein/REAXYS Number:
3914826
MDL number:
assay
≥98% (HPLC)
form
powder
color
white
mp
172-176 °C (lit.)
solubility
H2O: soluble (Solutions should be freshly prepared.), ethanol: slightly soluble (Solutions should be freshly prepared.)
SMILES string
Br[H].COC(=O)C1=CCCN(C)C1
InChI
1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H
InChI key
AXOJRQLKMVSHHZ-UHFFFAOYSA-N
Gene Information
human ... CHRM1(1128), CHRM2(1129), CHRM3(1131), CHRM4(1132), CHRM5(1133)
Biochem/physiol Actions
Muscarinic acetylcholine receptor agonist. A constituent of betel nut that may be carcinogenic on prolonged exposure. Cytotoxicity is reduced by antioxidants, such as reduced glutathione or N-acetyl-L-cysteine. Induces ADP ribosylation of histones and chromatid relaxation in spleen and bone marrow cells.
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Storage Class
10 - Combustible liquids
wgk
WGK 1
flash_point_f
188.6 °F - Solvent
flash_point_c
87 °C - Solvent
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