Avasopasem manganese
HIT212711468
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HIT ID: HIT212711468
Cas No: 435327-40-5
分子式: C21H35Cl2MnN5
分子量: 483.38
常用名: Avasopasem manganese
氢键受体数 (HBA): 0
氢键供体数 (HBD): 4
LogP: -1.0578742
IUPAC: (1R,2S,7S,8R,11R,12S,17S,18R)-26,26-dichloro-1,8,11,18,25lambda5-pentaaza-26-manganaoctacyclo[22.2.1.0^{2,7}.0^{8,26}.0^{11,26}.0^{12,17}.0^{18,26}.0^{20,25}]heptacosa-20(25),21,23-triene-1,8,11,18-tetraium-25-ylium-26,26,26,26,26-pentauide
IUPAC: (1R,2S,7S,8R,11R,12S,17S,18R)-26,26-dichloro-1,8,11,18,25lambda5-pentaaza-26-manganaoctacyclo[22.2.1.0^{2,7}.0^{8,26}.0^{11,26}.0^{12,17}.0^{18,26}.0^{20,25}]heptacosa-20(25),21,23-triene-1,8,11,18-tetraium-25-ylium-26,26,26,26,26-pentauide
SMILES: Cl[Mn-5]1234(Cl)[N@@H+]5CC[N@@H+]1[C@H]1CCCC[C@@H]1[N@H+]2Cc1cccc(C[N@@H+]3[C@H]2CCCC[C@H]52)[n+]41
SMILES: Cl[Mn-5]1234(Cl)[N@@H+]5CC[N@@H+]1[C@H]1CCCC[C@@H]1[N@H+]2Cc1cccc(C[N@@H+]3[C@H]2CCCC[C@H]52)[n+]41
InChI key: WXEMWBBXVXHEPU-NDOCQCNASA-L
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