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Substance Name: Betanin hydrochloride
RN: 73464-91-2
InChIKey: PAQPCYYBXSCBAT-HQIFJQDVSA-N

Molecular Formula

  • C24-H26-N2-O13.Cl-H

Molecular Weight

  • 586.931
 
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Names and Synonyms

Results Name

  • Betanin hydrochloride

Synonyms

  • Betanine hydrochloride
  • Phytolaccanin hydrochloride

Systematic Name

  • 2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-5-(beta-D-glucopyranosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, monohydrochloride, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 73464-91-2

System Generated Number

  • 0073464912

Molecular Formulas

Molecular Formula

  • C24-H26-N2-O13.Cl-H

Molecular Formula Fragments

  • C24-H26-N2-O13
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H26N2O13.ClH/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35;/h1-3,6-7,12,14,17-20,24,27-31H,4-5,8H2,(H,32,33)(H,34,35)(H,36,37);1H/b2-1+;/t12-,14-,17+,18+,19-,20+,24+;/m0./s1

InChIKey

PAQPCYYBXSCBAT-HQIFJQDVSA-N

Smiles

C1[C@H](N=C(C=C1\C=C\N1[C@@H](Cc2cc(c(cc12)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)C(=O)O)C(=O)O)C(=O)O.Cl