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Substance Name: Desacetylnantradol
RN: 65511-54-8
InChIKey: YPYQDMBJZJZFQL-UHFFFAOYSA-N

Note

  • Active metabolite of nantradol; use STEREOISOMERS if levo cpd is discussed.

Molecular Formula

  • C25-H33-N-O3

Molecular Weight

  • 395.54
 
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Names and Synonyms

Results Name

  • Desacetylnantradol

Name of Substance

  • Desacetylnantradol

Synonyms

  • 6-Methyl-3-(5-phenylpentan-2-yloxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
  • Desacetylnantradol

Systematic Name

  • 1,9-Phenanthridinediol, 5,6,6a,7,8,9,10,10a-octahydro-6-methyl-3-(1-methyl-4-phenylbutoxy)-

Registry Numbers

CAS Registry Number

  • 65511-54-8

System Generated Number

  • 0065511548

Structure Descriptors

InChI

1S/C25H33NO3/c1-16(7-6-10-18-8-4-3-5-9-18)29-20-14-23-25(24(28)15-20)22-13-19(27)11-12-21(22)17(2)26-23/h3-5,8-9,14-17,19,21-22,26-28H,6-7,10-13H2,1-2H3

InChIKey

YPYQDMBJZJZFQL-UHFFFAOYSA-N

Smiles

c1(cc(cc2N[C@@H]([C@@H]3CC[C@@H](C[C@@H]3c12)O)C)O[C@@H](CCCc1ccccc1)C)O