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Tryptoquivaline n

  • Formula: C26H24N4O5

  • Molecular weight: 472.50

  • Smiles: CC1C(=O)N2C(N1)C3(CC(C(=O)O3)N4C(=O)C5=CC=CC=C5N=C4C(=O)C(C)C)C6=CC=CC=C62

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Tryptoquivaline n

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

  • Mycotoxin name: Tryptoquivaline n

  • First synonym: Deoxynortryptoquivalone

  • Synonyms: Deoxynortryptoquivalone,UNII-X9XE8T7ICJ,X9XE8T7ICJ,Fumitremorgin N,Tryptoquivaline N,Deoxytryptoquivaline B,1'-Deoxytryptoquivalone,60676-61-1,Q27293742,Spiro(furan-2(5H),9'-(9H)imidazo(1,2-a)indole)-3',5(2'H)-dione, 1',3,4,9'a-tetrahydro-2'-methyl-4-(2-(2-methyl-1-oxopropyl)-4-oxo-3(4H)-quinazolinyl)-, (2'S-(2'alpha,9'beta(S*),9'aalpha))-,Spiro(furan-2(5H),9'-(9H)imidazo(1,2-a)indole)-3',5(2'H)-dione, 1',3,4,9'a-tetrahydro-2'-methyl-4-(2-(2-methyl-1-oxopropyl)-4-oxo-3(4H)-quinazolinyl)-, (2S,2'S,4R,9'aR)-

Identifiers / External links

Structure

  • Smiles: CC1C(=O)N2C(N1)C3(CC(C(=O)O3)N4C(=O)C5=CC=CC=C5N=C4C(=O)C(C)C)C6=CC=CC=C62

  • Isomeric smiles: C[C@H]1C(=O)N2[C@@H](N1)[C@]3(C[C@H](C(=O)O3)N4C(=O)C5=CC=CC=C5N=C4C(=O)C(C)C)C6=CC=CC=C62

  • Inchi: InChI=1S/C26H24N4O5/c1-13(2)20(31)21-28-17-10-6-4-8-15(17)23(33)29(21)19-12-26(35-24(19)34)16-9-5-7-11-18(16)30-22(32)14(3)27-25(26)30/h4-11,13-14,19,25,27H,12H2,1-3H3/t14-,19+,25+,26-/m0/s1

  • Inchikey: FDESYNZCSDCHOM-WGZOSGDWSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C26H24N4O5

  • Molecular weight: 472.50

  • Monoisotopic mass: 472.17466988

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