Ajmalidine
HIT214312915
sdf文件结构编辑类似物检索
HIT ID: HIT214312915
Cas No: 639-30-5
分子式: C20H24N2O2
分子量: 324.424
常用名: Ajmalidine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,9R,10S,12S,13S,14R,16S)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2,4,6-trien-18-one
IUPAC: (1R,9R,10S,12S,13S,14R,16S)-13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2,4,6-trien-18-one
SMILES: CC[C@@H]1[C@@H](O)N2[C@H]3C[C@@]45[C@H]([C@@H]2C[C@@H]1C3C4=O)N(C)c1ccccc51 |TLB:1:2:10.11:6.13,THB:4:3:10.11:6.13,7:6:2.3:10.11,9:10:2.3:6.13,12:13:7:5.9.10,14:13:2.3:10.11|
SMILES: CC[C@@H]1[C@@H](O)N2[C@H]3C[C@@]45[C@H]([C@@H]2C[C@@H]1C3C4=O)N(C)c1ccccc51 |TLB:1:2:10.11:6.13,THB:4:3:10.11:6.13,7:6:2.3:10.11,9:10:2.3:6.13,12:13:7:5.9.10,14:13:2.3:10.11|
InChI key: JLUFXYAXVHAFTF-YNSIMGNASA-N
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