Name: NCX1022
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212672619
Cas No:571186-50-0
常用名:NCX1022
IUPAC:2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl 4-[(nitrooxy)methyl]benzoate
IUPAC:2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl 4-[(nitrooxy)methyl]benzoate
InChI key:UBANCVOKRLKBGJ-KGWLDMEJSA-N

分子式:C29H35NO9
分子量:541.597
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:3.9280682
SMILES:[H][C@@]12CC[C@](O)(C(=O)COC(=O)c3ccc(CON(=O)=O)cc3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:37|
SMILES:[H][C@@]12CC[C@](O)(C(=O)COC(=O)c3ccc(CON(=O)=O)cc3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:37|

NCX1022 is a NO-releasing derivative of Hydrocortisone. It is the most widely used anti-inflammatory drug for the treatment of skin inflammation.

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