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Substance Name: Sodium domoate
RN: 56711-43-4
InChIKey: DKZXEHCSMAYDTA-LSCPQTDESA-K

Classification Code

  • Reproductive Effect

Molecular Formula

  • C15-H21-N-O6.x-Na

Molecular Weight

  • 377.2782
 
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Names and Synonyms

Results Name

  • Sodium domoate

Synonyms

  • Domoic acid sodium salt
  • Sodium domoate

Systematic Name

  • 1-Pyrrolidineacetic acid, 2-carboxy-4-(5-carboxy-1-methyl-1,3-hexadienyl)-, sodium salt, (2S-(2-alpha,3-beta,4-beta(1Z,3E,5S*)))-

Registry Numbers

CAS Registry Number

  • 56711-43-4

Related Registry Number

  • 14277-97-5 (Parent)

System Generated Number

  • 0056711434

Molecular Formulas

Molecular Formula

  • C15-H21-N-O6.x-Na

Molecular Formula Fragments

  • C15-H21-N-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C15H21NO6.3Na/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18;;;/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22);;;/q;3*+1/p-3/b5-3+,8-4-;;;/t9-,10+,11-,13+;;;/m1.../s1

InChIKey

DKZXEHCSMAYDTA-LSCPQTDESA-K

Smiles

[Na+].[Na+].[Na+].C[C@H](\C=C\C=C(\C)/[C@H]1CN[C@@H]([C@H]1CC(=O)[O-])C(=O)[O-])C(=O)[O-]