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Cortamidine oxide

  • Formula: C13H23N3O4S2

  • Molecular weight: 349.50

  • Smiles: C1CC[NH+](C(C1)SSCC(C(=O)O)N=C2CCCCN2O)[O-]

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Cortamidine oxide

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

  • Mycotoxin name: Cortamidine oxide

  • First synonym: None

  • Synonyms: Cortamidine oxide

Identifiers / External links

Structure

  • Smiles: C1CC[NH+](C(C1)SSCC(C(=O)O)N=C2CCCCN2O)[O-]

  • Isomeric smiles: C1CC[NH+](C(C1)SSC[C@@H](C(=O)O)N=C2CCCCN2O)[O-]

  • Inchi: InChI=1S/C13H23N3O4S2/c17-13(18)10(14-11-5-1-3-7-15(11)19)9-21-22-12-6-2-4-8-16(12)20/h10,12,16,19H,1-9H2,(H,17,18)/t10-,12?/m0/s1

  • Inchikey: KDDBQVILEPISAC-NUHJPDEHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C13H23N3O4S2

  • Molecular weight: 349.50

  • Monoisotopic mass: 349.11299857

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