Tropirine maleate
HIT219158465
sdf文件结构编辑类似物检索
HIT ID: HIT219158465
Cas No: 17929-04-3
分子式: C26H28N2O5
分子量: 448.519
常用名: Tropirine maleate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2Z)-but-2-enedioic acid; 2-{[(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy}-7-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
IUPAC: (2Z)-but-2-enedioic acid; 2-{[(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy}-7-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILES: OC(=O)\C=C/C(O)=O.[H][C@]12CC[C@]([H])(C[C@@H](C1)OC1c3ccccc3C=Cc3ncccc13)N2C
SMILES: OC(=O)\C=C/C(O)=O.[H][C@]12CC[C@]([H])(C[C@@H](C1)OC1c3ccccc3C=Cc3ncccc13)N2C
InChI key: XRNCBYGSTJBHHL-GTYVWWLYSA-N
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