Mesulergine hydrochloride
HIT212709150
sdf文件结构编辑类似物检索
HIT ID: HIT212709150
Cas No: 72786-12-0
分子式: C18H27ClN4O2S
分子量: 398.95
常用名: Mesulergine hydrochloride
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 1.0848038
IUPAC: {[(2R,4S,7R)-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]sulfamoyl}dimethylamine hydrochloride
IUPAC: {[(2R,4S,7R)-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]sulfamoyl}dimethylamine hydrochloride
SMILES: Cl.CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
SMILES: Cl.CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
InChI key: HANSYUJEPWNHIM-IVMONYBCSA-N
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