Levocabastine hydrochloride | R-50,547 | R50,547 | R 50,547 | Livostin | Levocabastine HCl | CAS 79547-78-7

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HIT ID:HIT212687606
Cas No:79547-78-7
常用名:Levocabastine hydrochloride
别名:R-50,547, R50,547, R 50,547, Livostin, Levocabastine HCl
别名:R-50,547, R50,547, R 50,547, Livostin, Levocabastine HCl
IUPAC:(3S,4R)-3-methyl-4-phenyl-1-[(1s,4s)-4-cyano-4-(4-fluorophenyl)cyclohexyl]piperidine-4-carboxylic acid hydrochloride
IUPAC:(3S,4R)-3-methyl-4-phenyl-1-[(1s,4s)-4-cyano-4-(4-fluorophenyl)cyclohexyl]piperidine-4-carboxylic acid hydrochloride
InChI key:OICFWWJHIMKBCD-VALQNVSPSA-N

分子式:C26H30ClFN2O2
分子量:456.99
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:2.4994276
SMILES:Cl.C[C@@H]1CN(CC[C@]1(C(O)=O)c1ccccc1)[C@H]1CC[C@](CC1)(C#N)c1ccc(F)cc1 |wU:2.0,7.10,17.17,20.24,wD:7.7,20.26,(7.55,,;-3.25,3.84,;-1.92,3.07,;-1.92,1.53,;-.58,.76,;.75,1.53,;.75,3.07,;-.58,3.84,;-1.57,5.02,;-1.05,6.47,;-3.09,4.75,;.41,5.02,;-.12,6.47,;.87,7.65,;2.39,7.38,;2.91,5.93,;1.92,4.75,;-.58,-.78,;.75,-1.55,;.75,-3.09,;-.58,-3.86,;-1.92,-3.09,;-1.92,-1.55,;-1.57,-5.04,;-2.56,-6.22,;.41,-5.04,;1.92,-4.77,;2.91,-5.95,;2.39,-7.4,;3.38,-8.58,;.87,-7.67,;-.12,-6.49,)|
SMILES:Cl.C[C@@H]1CN(CC[C@]1(C(O)=O)c1ccccc1)[C@H]1CC[C@](CC1)(C#N)c1ccc(F)cc1 |wU:2.0,7.10,17.17,20.24,wD:7.7,20.26,(7.55,,;-3.25,3.84,;-1.92,3.07,;-1.92,1.53,;-.58,.76,;.75,1.53,;.75,3.07,;-.58,3.84,;-1.57,5.02,;-1.05,6.47,;-3.09,4.75,;.41,5.02,;-.12,6.47,;.87,7.65,;2.39,7.38,;2.91,5.93,;1.92,4.75,;-.58,-.78,;.75,-1.55,;.75,-3.09,;-.58,-3.86,;-1.92,-3.09,;-1.92,-1.55,;-1.57,-5.04,;-2.56,-6.22,;.41,-5.04,;1.92,-4.77,;2.91,-5.95,;2.39,-7.4,;3.38,-8.58,;.87,-7.67,;-.12,-6.49,)|

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