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Substance Name: Calycanthine
RN: 595-05-1
UNII: F62N8QPR7V
InChIKey: XSYCDVWYEVUDKQ-GXRSIYKFSA-N

Note

  • The principal alkaloid of the plant family Calycanthaceae.

Molecular Formula

  • C22-H26-N4

Molecular Weight

  • 346.475
 
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Names and Synonyms

Name of Substance

  • Calycanthine

Synonyms

  • Calycanthine
  • EINECS 209-857-7
  • NSC 99016
  • UNII-F62N8QPR7V

Systematic Name

  • Calycanthine

Registry Numbers

CAS Registry Number

  • 595-05-1

FDA UNII

  • F62N8QPR7V

System Generated Number

  • 0000595051

Structure Descriptors

InChI

1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1

InChIKey

XSYCDVWYEVUDKQ-GXRSIYKFSA-N

Smiles

c1ccc2N[C@H]3[C@@]45[C@@](c2c1)(CC[N@@]3C)[C@H](Nc1c5cccc1)[N@](CC4)C