Savoxepin mesylate
HIT212713568
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HIT ID: HIT212713568
Cas No: 79262-47-8
分子式: C26H30N2O4S
分子量: 466.6
常用名: Savoxepin mesylate
氢键受体数 (HBA): 2
氢键供体数 (HBD): 0
LogP: 5.207832
IUPAC: 18-(cyclopentylmethyl)-8-oxa-18-azatetracyclo[13.5.0.0^{2,7}.0^{9,14}]icosa-1(15),2,4,6,9,11,13-heptaene-4-carbonitrile; methanesulfonic acid
IUPAC: 18-(cyclopentylmethyl)-8-oxa-18-azatetracyclo[13.5.0.0^{2,7}.0^{9,14}]icosa-1(15),2,4,6,9,11,13-heptaene-4-carbonitrile; methanesulfonic acid
SMILES: CS(O)(=O)=O.N#Cc1ccc2Oc3ccccc3C3=C(CCN(CC4CCCC4)CC3)c2c1 |t:18|
SMILES: CS(O)(=O)=O.N#Cc1ccc2Oc3ccccc3C3=C(CCN(CC4CCCC4)CC3)c2c1 |t:18|
InChI key: PDYLRPIUJQGVNY-UHFFFAOYSA-N
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