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Substance Name: Betanidine
RN: 2181-76-2
UNII: 9I2X8A06CQ
InChIKey: BBJUSJOGHYQDQX-WODDMCJRSA-N

Molecular Formula

  • C18-H16-N2-O8

Molecular Weight

  • 388.3304
 
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Names and Synonyms

Results Name

  • Betanidine

Name of Substance

  • Betanidin

Synonyms

  • Betanidin
  • Betanidine
  • UNII-9I2X8A06CQ

Systematic Names

  • 2,6-Pyridinedicarboxylic acid, 4-(2-((2S)-2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (2S)-
  • 2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R))-

Registry Numbers

CAS Registry Number

  • 2181-76-2

FDA UNII

  • 9I2X8A06CQ

Other Registry Numbers

  • 18766-56-8
  • 48218-81-1

System Generated Number

  • 0002181762

Structure Descriptors

InChI

1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13,21-22H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/b2-1+/t11-,13-/m0/s1

InChIKey

BBJUSJOGHYQDQX-WODDMCJRSA-N

Smiles

c1c2c(cc(c1O)O)N([C@@H](C2)C(=O)O)/C=C/C3=CC(=N[C@@H](C3)C(=O)O)C(=O)O