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Substance Name: Rescinnamidine
RN: 110222-52-1
InChIKey: PYYLUPQQQNZLDO-LAFLMMDJSA-N

Molecular Formula

  • C35-H44-N2-O9

Molecular Weight

  • 636.738
 
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Names and Synonyms

Name of Substance

  • Rescinnamidine

Synonyms

  • 2',3'-Dihydrorescinnamine
  • Benz(g)indolo(2,3-a)quinolizine, yohimban-16-carboxylic acid deriv
  • Reserpic acid, methyl ester, 3,4,5-trimethoxyhydrocinnamate

Systematic Name

  • Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-(1-oxo-3-(3,4,5-trimethoxyphenyl)propoxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)

Registry Numbers

CAS Registry Number

  • 110222-52-1

System Generated Number

  • 0110222521

Structure Descriptors

InChI

1S/C35H44N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h8-9,13-14,16,20,24,26,29,31,34,36H,7,10-12,15,17-18H2,1-6H3/t20-,24+,26-,29-,31+,34+/m1/s1

InChIKey

PYYLUPQQQNZLDO-LAFLMMDJSA-N

Smiles

[nH]1c2[C@@H]3[N@@](CCc2c2ccc(cc12)OC)C[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1C3)C(=O)OC)OC)OC(CCc1cc(c(c(c1)OC)OC)OC)=O