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Rubrobramide

  • Formula: C12H17NO5

  • Molecular weight: 255.27

  • Smiles: CC(C)CC12C3C(C(=O)CC(O3)(O1)C)(C(=O)N2)O

  • Type: Alkaloid

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Rubrobramide

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Rubrobramide

  • First synonym: Rubrobramide

  • Synonyms: Rubrobramide,205386-57-8,rel-(2R,4aS,7R,7aR)-4a-hydroxy-7-isobutyl-2-methylhexahydro-2,7-epoxypyrano[2,3-c]pyrrole-4,5-dione,CHEMBL490137,DTXSID40942713,(1R,4S,7R,8R)-4-hydroxy-1-methyl-7-(2-methylpropyl)-9,10-dioxa-6-azatricyclo[5.2.1.04,8]decane-3,5-dione,2,7-Epoxypyrano(2,3-c)pyrrole-4,5-dione, hexahydro-4a-hydroxy-2-methyl-7-(2-methylpropyl)-, (2R,4aS,7R,7aR)-rel-( )-,4a,5-Dihydroxy-2-methyl-7-(2-methylpropyl)-2,3,7,7a-tetrahydro-2,7-epoxypyrano[2,3-c]pyrrol-4(4aH)-one

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Structure

  • Smiles: CC(C)CC12C3C(C(=O)CC(O3)(O1)C)(C(=O)N2)O

  • Isomeric smiles: CC(C)C[C@]12[C@H]3[C@](C(=O)C[C@](O3)(O1)C)(C(=O)N2)O

  • Inchi: InChI=1S/C12H17NO5/c1-6(2)4-11-8-12(16,9(15)13-11)7(14)5-10(3,17-8)18-11/h6,8,16H,4-5H2,1-3H3,(H,13,15)/t8-,10+,11+,12+/m0/s1

  • Inchikey: DDXFYNDEHYHXPW-JTLRNRKASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C12H17NO5

  • Molecular weight: 255.27

  • Monoisotopic mass: 255.11067264

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