Drotaveraldine | CAS No. 54088-62-9

Drotaveraldine

Basic Information

CAS Number

54088-62-9

Molecular Formula

C24H29NO5

Molecular Weight

411.5 g/mol

AD

Basic Physical Properties

Melting Point

119-121°C

CCOC1=C(C=C(C=C1)C(=O)C2=NCCC3=CC(=C(C=C32)OCC)OCC)OCC

InChI

InChI=1S/C24H29NO5/c1-5-27-19-10-9-17(14-20(19)28-6-2)24(26)23-18-15-22(30-8-4)21(29-7-3)13-16(18)11-12-25-23/h9-10,13-15H,5-8,11-12H2,1-4H3

InChIKey

GWEJBCQISYBHHZ-UHFFFAOYSA-N

LogP

4.509500000000004

Topological Polar Surface Area

66.35000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

580

Synonyms & References

English

  • Drotaveraldine
  • (6,7-diethoxy-3,4-dihydro-[1]isoquinolyl)-(3,4-diethoxy-phenyl)-ketone
  • 1-(3,4-diethoxybenzoyl)-6,7-diethoxy-3,4-dihydroisoquinoline
  • 54088-62-9
  • (6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-(3,4-diethoxyphenyl)methanone
  • EX-A5512
  • F94587
  • STL454328
  • (6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)(3,4-diethoxyphenyl)methanone
  • (6,7-Diethoxy-3,4-dihydroisoquinolin-1-yl)(3,4-diethoxyphenyl)methanone

MDL Number

MFCD18382311

Customs Code

2933499090

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