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11018-89-6,MFCD00149240
Catalog No.:AA008RAU

11018-89-6 | OUABAIN OCTAHYDRATE

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50mg
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA008RAU
Chemical Name:
OUABAIN OCTAHYDRATE
CAS Number:
11018-89-6
Molecular Formula:
C29H46O13
Molecular Weight:
602.6677
MDL Number:
MFCD00149240
SMILES:
OC[C@@]12[C@H](O)C[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O.O
Properties
Computed Properties
 
Complexity:
1080  
Covalently-Bonded Unit Count:
9  
Defined Atom Stereocenter Count:
15  
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
20  
Hydrogen Bond Donor Count:
16  
Rotatable Bond Count:
4  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Kobayashi M, et al. The cardiac glycoside ouabain activates NLRP3 inflammasomes and promotes cardiac inflammation and dysfunction. PLoS One. 2017 May 11;12(5):e0176676.

Title: Venugopal J, et al. Ouabain promotes partial epithelial to mesenchymal transition (EMT) changes in human autosomal dominant polycystic kidney disease (ADPKD) cells. Exp Cell Res. 2017 Jun 15;355(2):142-152.

Title: Lima DB, et al. Ouabain-induced alterations in ABCB1 of mesenteric lymph nodes and thymocytes of rats and mice. Oncol Lett. 2016 Dec;12(6):5275-5280.

Title: Meng L, et al. Ouabain induces apoptosis and autophagy in Burkitt's lymphoma Raji cells. Biomed Pharmacother. 2016 Dec;84:1841-1848.

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Tags:11018-89-6 Molecular Formula|11018-89-6 MDL|11018-89-6 SMILES|11018-89-6 OUABAIN OCTAHYDRATE