Ambroxol-d5 | CAS 1246818-80-3;18683-91-5

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HIT ID:HIT212074966
Cas No:1246818-80-3;18683-91-5
常用名:Ambroxol-d5
IUPAC:(1r,4r)-4-{[(2-amino-3,5-dibromophenyl)methyl]amino}(1,2,2,6,6-2H5)cyclohexan-1-ol
IUPAC:(1r,4r)-4-{[(2-amino-3,5-dibromophenyl)methyl]amino}(1,2,2,6,6-2H5)cyclohexan-1-ol
InChI key:JBDGDEWWOUBZPM-URUCQLEXSA-N

分子式:C13H18Br2N2O
分子量:383.139
氢键供体数 (HBD):3
氢键受体数 (HBA):3
LogP:2.652726
SMILES:[2H]C1([2H])C[C@@H](CC([2H])([2H])[C@@]1([2H])O)NCc1cc(Br)cc(Br)c1N |wU:9.11,wD:4.12,(5.46,.03,;3.92,-.08,;4.6,-1.46,;2.59,-.85,;1.26,-.08,;1.26,1.46,;2.59,2.23,;3.45,3.51,;1.73,3.51,;3.92,1.46,;5.46,1.36,;4.6,2.85,;-.08,-.85,;-1.41,-.08,;-2.74,-.85,;-2.74,-2.39,;-4.08,-3.16,;-4.08,-4.7,;-5.41,-2.39,;-5.41,-.85,;-6.74,-.08,;-4.08,-.08,;-4.08,1.46,)|
SMILES:[2H]C1([2H])C[C@@H](CC([2H])([2H])[C@@]1([2H])O)NCc1cc(Br)cc(Br)c1N |wU:9.11,wD:4.12,(5.46,.03,;3.92,-.08,;4.6,-1.46,;2.59,-.85,;1.26,-.08,;1.26,1.46,;2.59,2.23,;3.45,3.51,;1.73,3.51,;3.92,1.46,;5.46,1.36,;4.6,2.85,;-.08,-.85,;-1.41,-.08,;-2.74,-.85,;-2.74,-2.39,;-4.08,-3.16,;-4.08,-4.7,;-5.41,-2.39,;-5.41,-.85,;-6.74,-.08,;-4.08,-.08,;-4.08,1.46,)|

Ambroxol-d5 is intended for use as an internal standard for the quantification of ambroxol by GC- or LC-MS. Ambroxol is an expectorant and active metabolite of bromhexine. It decreases short-circuit currents in electrically stimulated isolated canine tracheal epithelial cells when applied submucosally. Ambroxol decreases IL-13-induced production of mucin 5AC (MUC5AC) in primary human airway epithelial cells and inhibits IL-13-induced decreases in the mucociliary transport rate of endogenous particles in the same cells. Ambroxol increases phenol red secretion, a marker of expectorant activity, in mice when administered at doses of 30, 60, or 120 mg/kg. Formulations containing ambroxol have been used in the treatment of acute or chronic respiratory conditions.

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