Name: Detajmium
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317907
Cas No:47719-70-0
常用名:Detajmium
别名:Tachmalcor
IUPAC:(1R,9R,10S,12R,13S,14R,16S,17S)-15-[3-(diethylamino)-2-hydroxypropyl]-13-ethyl-14,18-dihydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2(7),3,5-trien-15-ium
IUPAC:(1R,9R,10S,12R,13S,14R,16S,17S)-15-[3-(diethylamino)-2-hydroxypropyl]-13-ethyl-14,18-dihydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2(7),3,5-trien-15-ium
InChI key:IXLGLCQSNUMEGQ-HYVRMPICSA-N

分子式:C27H42N3O3
分子量:456.65
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]34C(O)[C@@]1([H])[C@@]1([H])C[C@@]([H])([C@]3([H])N(C)c3ccccc43)[N+]2(CC(O)CN(CC)CC)[C@H](O)[C@H]1CC |TLB:4:3:23:6.8.10,4:6:23:3.13.2,4:6:11.10:35.33,13:11:1.6:35.33,2:1:11.10:35.33,33:23:3.13.2:6.8.10,34:33:1.6:11.10,15:13:23:6.8.10,22:3:23:6.8.10,THB:24:23:3.13.2:6.8.10,35:8:23:3.13.2,36:35:1.6:11.10|
SMILES:[H][C@]12C[C@]34C(O)[C@@]1([H])[C@@]1([H])C[C@@]([H])([C@]3([H])N(C)c3ccccc43)[N+]2(CC(O)CN(CC)CC)[C@H](O)[C@H]1CC |TLB:4:3:23:6.8.10,4:6:23:3.13.2,4:6:11.10:35.33,13:11:1.6:35.33,2:1:11.10:35.33,33:23:3.13.2:6.8.10,34:33:1.6:11.10,15:13:23:6.8.10,22:3:23:6.8.10,THB:24:23:3.13.2:6.8.10,35:8:23:3.13.2,36:35:1.6:11.10|

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