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Substance Name: Speciophylline
RN: 4697-68-1
UNII: ET6RF2PE1P
InChIKey: JMIAZDVHNCCPDM-ZUNJVLJPSA-N

Note

  • From leaves of Mitragyna inermis (Rubiaceae).

Molecular Formula

  • C21-H24-N2-O4

Molecular Weight

  • 368.431
 
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Names and Synonyms

Name of Substance

  • Speciophylline

Synonyms

  • 19-Methyl-2-oxoformosanan-16-carboxylic acid, methyl ester
  • NSC 113094
  • Speciophylline
  • Uncarine D
  • UNII-ET6RF2PE1P

Systematic Name

  • Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (3beta,7alpha,19alpha,20alpha)-

Registry Numbers

CAS Registry Number

  • 4697-68-1

FDA UNII

  • ET6RF2PE1P

System Generated Number

  • 0004697681

Structure Descriptors

InChI

1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18+,21-/m0/s1

InChIKey

JMIAZDVHNCCPDM-ZUNJVLJPSA-N

Smiles

c1cc2[C@@]3(C(Nc2cc1)=O)CC[N@@]1C[C@@H]2[C@H](C[C@H]31)C(=CO[C@H]2C)C(OC)=O