Name: Org-21465
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212713206
Cas No:167946-96-5
常用名:Org-21465
别名:Org21465, Org 21465
IUPAC:(1S,3aS,3bS,5aS,7S,8S,9aS,9bS,11aS)-1-acetyl-8-(2,2-dimethylmorpholin-4-yl)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-10-one
IUPAC:(1S,3aS,3bS,5aS,7S,8S,9aS,9bS,11aS)-1-acetyl-8-(2,2-dimethylmorpholin-4-yl)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-10-one
InChI key:HQEJMKVZYCQIIH-JJLPOIBOSA-N

分子式:C27H43NO4
分子量:445.644
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:3.1761816
SMILES:[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOC(C)(C)C1
SMILES:[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOC(C)(C)C1

Org-21465, a gamma-aminobutyric acid (GABA) receptor agonist, is used potentially for the use of anesthesia.

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