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Substance Name: Toxiferine I, 4,4'-didemethyl-18,18'-dideoxy-, 4-oxide
RN: 62569-70-4
InChIKey: RICXRSDOHGUSIC-RCVCGAHUSA-N

Molecular Formula

  • C38-H40-N4-O

Molecular Weight

  • 568.761
 
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Names and Synonyms

Synonym

  • Dihydronortoxiferine N-oxide

Systematic Name

  • Toxiferine I, 4,4'-didemethyl-18,18'-dideoxy-, 4-oxide

Registry Numbers

CAS Registry Number

  • 62569-70-4

System Generated Number

  • 0062569704

Structure Descriptors

InChI

1S/C38H40N4O/c1-3-23-19-39-15-13-37-29-9-5-7-11-31(29)40-21-28-26-18-34-38(14-16-42(34,43)22-24(26)4-2)30-10-6-8-12-32(30)41(36(28)38)20-27(35(37)40)25(23)17-33(37)39/h3-12,20-21,25-26,33-36H,13-19,22H2,1-2H3/b23-3-,24-4-,27-20-,28-21-/t25-,26-,33-,34-,35-,36-,37+,38+,42?/m0/s1

InChIKey

RICXRSDOHGUSIC-RCVCGAHUSA-N

Smiles

C/C=C\1/CN2CC[C@@]34[C@@H]2C[C@@H]1/C/5=C/N6c7ccccc7[C@@]89[C@@H]6/C(=C\N([C@@H]53)c1c4cccc1)/[C@H]\1C[C@@H]8[N+](CC9)(C/C1=C/C)[O-]