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Substance Name: Echinatine
RN: 480-83-1
UNII: 743IO8EFVG
InChIKey: SFVVQRJOGUKCEG-RZUNFUDNSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C15-H25-N-O5

Molecular Weight

  • 299.365
 
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Names and Synonyms

Results Name

  • Echinatine

Name of Substance

  • Echinatine

Synonyms

  • AI3-51768
  • Echinatine
  • NSC 89937
  • UNII-743IO8EFVG

Systematic Names

  • Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1-alpha,7(2R,3S),7a-alpha))-
  • Echinatine (8CI)

Registry Numbers

CAS Registry Number

  • 480-83-1

FDA UNII

  • 743IO8EFVG

System Generated Number

  • 0000480831

Structure Descriptors

InChI

1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13-,15?/m0/s1

InChIKey

SFVVQRJOGUKCEG-RZUNFUDNSA-N

Smiles

C=1([C@@H]2[N@@](CC1)CC[C@@H]2O)COC([C@@](C(C)C)([C@H](C)O)O)=O