Name: Delequamine HCl
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212712472
Cas No:119942-75-5
常用名:Delequamine HCl
别名:RS-15385-197, RS-15385, RS15385, RS 15385, Delequamine hydrochloride
别名:RS-15385-197, RS-15385, RS15385, RS 15385, Delequamine hydrochloride
IUPAC:(4aR,12bS,13aS)-1-methanesulfonyl-10-methoxy-2,3,4,4a,5,7,8,12b,13,13a-decahydro-1H-1,6-diazatetraphene hydrochloride
IUPAC:(4aR,12bS,13aS)-1-methanesulfonyl-10-methoxy-2,3,4,4a,5,7,8,12b,13,13a-decahydro-1H-1,6-diazatetraphene hydrochloride
InChI key:ITJOISLXCMAIOC-CVLULELNSA-N

分子式:C18H27ClN2O3S
分子量:386.94
氢键供体数 (HBD):0
氢键受体数 (HBA):4
LogP:1.0557255
SMILES:Cl.[H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O
SMILES:Cl.[H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(C)(=O)=O

Delequamine HCl is a potent and selective alpha 2-adrenoceptor antagonist. Delequamine HCl has a pKi of 9.45 for alpha 2-adrenoceptors in the rat cortex (pA2 in the guinea-pig ileum of 9.72).

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