Name: Clocinnamox mesylate
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214324239
Cas No:117332-69-1
常用名:Clocinnamox mesylate
别名:NIH 10443, C-CAM
IUPAC:3-(4-chlorophenyl)-N-[(1R,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-17-yl]prop-2-enamide; methanesulfonic acid
IUPAC:3-(4-chlorophenyl)-N-[(1R,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-17-yl]prop-2-enamide; methanesulfonic acid
InChI key:XAXNKAGAUFXFDO-VERRCQTKSA-N

分子式:C30H33ClN2O7S
分子量:601.11
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CS(O)(=O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)C=Cc1ccc(Cl)cc1)ccc3O |w:30.33,TLB:8:9:22:14.19.20,THB:39:10:22:14.19.20|
SMILES:CS(O)(=O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)C=Cc1ccc(Cl)cc1)ccc3O |w:30.33,TLB:8:9:22:14.19.20,THB:39:10:22:14.19.20|

Clocinnamox mesylate is a systemically active, irreversibleμ-opioid receptor antagonist (apparent Kivalues are 0.7, 1.9 and 5.7 nM for mouseμ,δandκreceptors respectively).

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